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Methyl 4-cyano-2-nitrobenzoate

UUID 3436f8e6-2f7a-4756-abeb-96ef10ffa683
Deprecated yes
Replaced By 5ff20e32-9bdc-42bc-b6aa-a58db7c52863
Flow Object IDfo-9e10a79d9b3767e8
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 52449-76-0
EC Numbers 610-840-5
prefLabel
Language Value Provenance
en Methyl 4-cyano-2-nitrobenzoate
altLabel ⓘ
Language Value Provenance
en 4-Cyano-2-nitrobenzoic acid methyl ester
en Benzoic acid, 4-cyano-2-nitro-, methyl ester
References
Shared 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
Molecular mass 206.157
Monoisotopic mass 206.032757
SMILES COC(=O)C1=C(C=C(C=C1)C#N)[N+](=O)[O-], COC(=O)c1ccc(C#N)cc1[N+](=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 3436f8e6-2f7a-4756-abeb-96ef10ffa683 methyl 4-cyano-2-nitrobenzoate

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match 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
cas_match_labels 1 — consensus_match 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'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@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
cas_match_labels None {'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'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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