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3-(methoxycarbonyl)-5-nitrobenzoic Acid

UUID bb2e8b82-2ea7-43c8-998e-d5ea6777b81c
Deprecated yes
Replaced By e2d00267-2b87-47a5-b0d9-0581bee5f88d
Flow Object IDfo-8ae1ee23d10f57fa
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 1955-46-0
EC Numbers 217-793-6
prefLabel
Language Value Provenance
en 3-(methoxycarbonyl)-5-nitrobenzoic Acid
altLabel ⓘ
Language Value Provenance
en 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester
en 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester
en 1-Methyl 5-nitro-1,3-benzenedicarboxylate
en 3-Carbomethoxy-5-nitrobenzoic acid
en 3-Methoxycarbonyl-5-nitrobenzoic acid
en 3-Nitro-5-(methoxycarbonyl)benzoic acid
en 5-Nitro-1,3-benzenedicarboxylic acid methyl ester
en 5-Nitro-1,3-benzenedicarboxylic acid monomethyl ester
en 5-Nitro-3-(carbomethoxy)benzoic acid
en 5-Nitroisophthalic acid methyl ester
en 5-Nitroisophthalic acid monomethyl ester
en Isophthalic acid, 5-nitro-, methyl ester
en Isophthalic acid, 5-nitro-, monomethyl ester
en Methyl 3-carboxy-5-nitrobenzoate
en Methyl hydrogen 5-nitroisophthalate
en Monomethyl 5-nitroisophthalate
References
Shared Properties
Predicate Value
InChIKey AJRINLUAQDZNQG-UHFFFAOYSA-L, BJTDPLRIKDSWIS-UHFFFAOYSA-N, ZCRNIIJXDRYWDU-UHFFFAOYSA-M, ZCRNIIJXDRYWDU-UHFFFAOYSA-N
InChI InChI=1S/C14H19NO2/c1-2-13(17)14(6-8-15-9-7-14)11-4-3-5-12(16)10-11/h3-5,10,15-16H,2,6-9H2,1H3, InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12), InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)/p-1, InChI=1S/C9H7NO6/c1-4-6(8(11)12)2-5(10(15)16)3-7(4)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)/p-2
IUPAC name 1-[4-(3-hydroxyphenyl)-4-piperidinyl]-1-propanone, 1-[4-(3-hydroxyphenyl)-4-piperidyl]propan-1-one, 1-[4-(3-hydroxyphenyl)piperidin-4-yl]propan-1-one, 2-methyl-5-nitro-benzene-1,3-dicarboxylate, 2-methyl-5-nitro-isophthalate, 2-methyl-5-nitrobenzene-1,3-dicarboxylate, 3-carbomethoxy-5-nitro-benzoate, 3-carbomethoxy-5-nitro-benzoic acid, 3-methoxycarbonyl-5-nitro-benzoate, 3-methoxycarbonyl-5-nitro-benzoic acid, 3-methoxycarbonyl-5-nitrobenzoate, 3-methoxycarbonyl-5-nitrobenzoic acid
Molecular formula C14H19NO2, C9H5NO6-2, C9H6NO6-, C9H7NO6
SMILES CC1=C(C=C(C=C1C(=O)[O-])[N+](=O)[O-])C(=O)[O-], CCC(=O)C1(CCNCC1)C2=CC(=CC=C2)O, COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-], COC(=O)C1=CC(=CC(=C1)C(=O)[O-])[N+](=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 bb2e8b82-2ea7-43c8-998e-d5ea6777b81c 3-(methoxycarbonyl)-5-nitrobenzoic acid

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=3-(methoxycarbonyl)-5-nitrobenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=1955-46-0; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester, 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester, 1-Methyl 5-nitro-1,3-benzenedicarboxylate, 3-Carbomethoxy-5-nitrobenzoic acid, 3-Methoxycarbonyl-5-nitrobenzoic acid, 3-Nitro-5-(methoxycarbonyl)benzoic acid, 5-Nitro-1,3-benzenedicarboxylic acid methyl ester, 5-Nitro-1,3-benzenedicarboxylic acid monomethyl ester, 5-Nitro-3-(carbomethoxy)benzoic acid, 5-Nitroisophthalic acid methyl ester, 5-Nitroisophthalic acid monomethyl ester, Isophthalic acid, 5-nitro-, methyl ester, Isophthalic acid, 5-nitro-, monomethyl ester, Methyl 3-carboxy-5-nitrobenzoate, Methyl hydrogen 5-nitroisophthalate, Monomethyl 5-nitroisophthalate; object_uuid=fo-8ae1ee23d10f57fa
cas_match_labels 1 — consensus_match group_key=3-(methoxycarbonyl)-5-nitrobenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1955-46-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ae1ee23d10f57fa: {'1955-46-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Methyl 5-nitro-1,3-benzenedicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Carbomethoxy-5-nitrobenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methoxycarbonyl-5-nitrobenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Nitro-5-(methoxycarbonyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Nitro-1,3-benzenedicarboxylic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Nitro-1,3-benzenedicarboxylic acid monomethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Nitro-3-(carbomethoxy)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Nitroisophthalic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Nitroisophthalic acid monomethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthalic acid, 5-nitro-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthalic acid, 5-nitro-, monomethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3-carboxy-5-nitrobenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl hydrogen 5-nitroisophthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monomethyl 5-nitroisophthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1955-46-0', 'https://commonchemistry.cas.org/detail?cas_rn=1955-46-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-(methoxycarbonyl)-5-nitrobenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=1955-46-0; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester, 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester, 1-Methyl 5-nitro-1,3-benzenedicarboxylate, 3-Carbomethoxy-5-nitrobenzoic acid, 3-Methoxycarbonyl-5-nitrobenzoic acid, 3-Nitro-5-(methoxycarbonyl)benzoic acid, 5-Nitro-1,3-benzenedicarboxylic acid methyl ester, 5-Nitro-1,3-benzenedicarboxylic acid monomethyl ester, 5-Nitro-3-(carbomethoxy)benzoic acid, 5-Nitroisophthalic acid methyl ester, 5-Nitroisophthalic acid monomethyl ester, Isophthalic acid, 5-nitro-, methyl ester, Isophthalic acid, 5-nitro-, monomethyl ester, Methyl 3-carboxy-5-nitrobenzoate, Methyl hydrogen 5-nitroisophthalate, Monomethyl 5-nitroisophthalate; object_uuid=fo-8ae1ee23d10f57fa
cas_match_labels None {'1955-46-0': 'exactMatch'} group_key=3-(methoxycarbonyl)-5-nitrobenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1955-46-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ae1ee23d10f57fa: {'1955-46-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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