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CHEBI:142863 - 4-nitrobenzoate

ChEBI IDCHEBI:142863
ChEBI Name4-nitrobenzoate
Stars
DefinitionA member of the class of benzoates resulting from the deprotonation of the carboxy group of 4-nitrobenzoic acid.
Last Modified10 January 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H4NO4
Net Charge-1
Average Mass166.112
Monoisotopic Mass166.01458
SMILESO=C([O-])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/p-1
InChIKeyOTLNPYWUJOZPPA-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-nitrobenzoate (CHEBI:142863) has functional parent benzoate (CHEBI:16150)
4-nitrobenzoate (CHEBI:142863) is a benzoates (CHEBI:22718)
4-nitrobenzoate (CHEBI:142863) is conjugate base of 4-nitrobenzoic acid (CHEBI:262350)
Incoming Relation(s)
4-nitrobenzoic acid (CHEBI:262350) is conjugate acid of 4-nitrobenzoate (CHEBI:142863)
Synonyms  Source
4NBZateMetaCyc
p-nitrobenzoateChEBI
UniProt Name  Source
4-nitrobenzoateUniProt
Manual XrefsDatabases
CPD-704MetaCyc