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CHEBI:184197 - 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID

ChEBI IDCHEBI:184197
ChEBI Name5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16N2O4
Net Charge0
Average Mass300.314
Monoisotopic Mass300.11101
SMILESCC(CNc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11(12-5-3-2-4-6-12)10-17-15-8-7-13(18(21)22)9-14(15)16(19)20/h2-9,11,17H,10H2,1H3,(H,19,20)
InChIKeyAUOOMXDMBHRLSI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID (CHEBI:184197) is a nitrobenzoic acid (CHEBI:25553)
IUPAC Name 
5-nitro-2-(2-phenylpropylamino)benzoic acid