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Methyl 4-cyano-2-nitrobenzoate

Flow Object IDfo-9e10a79d9b3767e8
TypeConsensus
prefLabel
Label Language
Methyl 4-cyano-2-nitrobenzoate en
Alt Labels
Label Language Provenance
4-Cyano-2-nitrobenzoic acid methyl ester en
Benzoic acid, 4-cyano-2-nitro-, methyl ester en
CAS Numbers52449-76-0
EC Numbers610-840-5
Changes Applied26

Properties

Predicate Value
InChIKey VNJLHPJTOHUNQK-UHFFFAOYSA-N
InChI InChI=1S/C9H6N2O4/c1-15-9(12)7-3-2-6(5-10)4-8(7)11(13)14/h2-4H,1H3
IUPAC name 4-cyano-2-nitro-benzoic acid methyl ester, 4-cyano-2-nitrobenzoic acid methyl ester, methyl 4-cyano-2-nitro-benzoate, methyl 4-cyano-2-nitrobenzoate
Molecular formula C9H6N2O4
SMILES COC(=O)C1=C(C=C(C=C1)C#N)[N+](=O)[O-]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
ba0b46a9… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
7478eef0… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
b5e508c8… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
83ca2090… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
48c5e924… EF 3.1 kg Environmental → Air → Unknown 4 2
dac54007… EF 3.1 kg Environmental → Air → Unknown 4 2
0e7e0f40… EF 3.1 kg Environmental → Ground → Agricultural 4 2
01f6916a… EF 3.1 kg Environmental → Ground → Unknown 4 2
bdaca0ca… EF 3.1 kg Environmental → Water → Ocean 4 2
eb1c462c… EF 3.1 kg Environmental → Water → Surface water 4 2
5ff20e32… EF 3.1 kg Environmental → Water → Unknown 4 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
01f6916a… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
01f6916a… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
0e7e0f40… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
0e7e0f40… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
3436f8e6… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
3436f8e6… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
48c5e924… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
48c5e924… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
5bc297d4… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
5bc297d4… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
5ff20e32… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
5ff20e32… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
7478eef0… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
7478eef0… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
83ca2090… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
83ca2090… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
b5e508c8… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
b5e508c8… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
ba0b46a9… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
ba0b46a9… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
bdaca0ca… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
bdaca0ca… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
dac54007… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
dac54007… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}
eb1c462c… altLabel [{"@value":"4-Cyano-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 4-cyano-2-nitro-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:52449-76-0","https://commonchemistry.cas.org/detail?cas_rn=52449-76-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=52449-76-0; added Common Chemistry CAS names as altLabel: 4-Cyano-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-cyano-2-nitro-, methyl ester; object_uuid=fo-9e10a79d9b3767e8
eb1c462c… cas_match_labels {"52449-76-0":"exactMatch"} group_key=methyl4-cyano-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52449-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e10a79d9b3767e8: {'52449-76-0': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-9e10a79d9b3767e8",
  "prefLabel": [
    {
      "@value": "Methyl 4-cyano-2-nitrobenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
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  ],
  "altLabel": [
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      "@value": "4-Cyano-2-nitrobenzoic acid methyl ester",
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    {
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      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "altLabel"
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H6N2O4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VNJLHPJTOHUNQK-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "COC(=O)C1=C(C=C(C=C1)C#N)[N+](=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C9H6N2O4/c1-15-9(12)7-3-2-6(5-10)4-8(7)11(13)14/h2-4H,1H3"
      ],
      "rdfs:label": "InChI",
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-cyano-2-nitro-benzoic acid methyl ester",
        "4-cyano-2-nitrobenzoic acid methyl ester",
        "methyl 4-cyano-2-nitro-benzoate",
        "methyl 4-cyano-2-nitrobenzoate"
      ],
      "rdfs:label": "IUPAC name",
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  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.124.804",
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