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CHEBI:231488 - 3-nitrobenzoate

ChEBI IDCHEBI:231488
ChEBI Name3-nitrobenzoate
Stars
DefinitionA nitrobenzoate that is conjugate base of 3-nitrobenzoic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified30 May 2024
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC7H4NO4
Net Charge-1
Average Mass166.112
Monoisotopic Mass166.01458
SMILESO=C([O-])c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)/p-1
InChIKeyAFPHTEQTJZKQAQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-nitrobenzoate (CHEBI:231488) is a nitrobenzoate (CHEBI:25552)
3-nitrobenzoate (CHEBI:231488) is conjugate base of 3-nitrobenzoic acid (CHEBI:231494)
Incoming Relation(s)
3-nitrobenzoic acid (CHEBI:231494) is conjugate acid of 3-nitrobenzoate (CHEBI:231488)
IUPAC Name 
3-nitrobenzoate
Synonyms  Source
m-nitrobenzoateSUBMITTER
m-nitrobenzenecarboxylateChEBI
UniProt Name  Source
3-nitrobenzoateUniProt
Manual XrefsDatabases
CPD-19230MetaCyc
Citations