Methyl 4-cyano-2-nitrobenzoate

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Methyl 4-cyano-2-nitrobenzoate

UUID dac54007-4d13-4171-81d5-73cb713508dc

Flow Object ID fo-9e10a79d9b3767e8

Source EF 3.1

Context Environmental → Air → 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`
SMILES	`COC(=O)C1=C(C=C(C=C1)C#N)[N+](=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`dac54007-4d13-4171-81d5-73cb713508dc`	methyl 4-cyano-2-nitrobenzoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	methyl 4-cyano-2-nitrobenzoate	Emissions/Emissions to air/Emissions to air, unspecified	kg	`exactMatch`	—

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

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

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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