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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID
ChEBI ID CHEBI:184197
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16N2O4
Net Charge 0
Average Mass 300.314
Monoisotopic Mass 300.11101
InChI InChI=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)
InChIKey AUOOMXDMBHRLSI-UHFFFAOYSA-N
SMILES OC(=O)C1=C(NCC(C2=CC=CC=C2)C)C=CC([N+]([O-])=O)=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID (CHEBI:184197) is a nitrobenzoic acid (CHEBI:25553)
IUPAC Name
5-nitro-2-(2-phenylpropylamino)benzoic acid