CHEBI:34457 - 5-Nitro-2-(3-phenylpropylamino)benzoic acid

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ChEBI Name 5-Nitro-2-(3-phenylpropylamino)benzoic acid ChEBI ID CHEBI:34457 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C16H16N2O4 C16H16N2O4 Net Charge 0 Average Mass 300.310 Monoisotopic Mass 300.11101 InChI InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20) InChIKey WBSMIPAMAXNXFS-UHFFFAOYSA-N SMILES OC(=O)c1cc(ccc1NCCCc1ccccc1)N(=O)=O 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-(3-phenylpropylamino)benzoic acid (CHEBI:34457) is a nitrobenzoic acid (CHEBI:25553) Synonyms Sources 5-Nitro-2-(3-phenylpropylamino)benzoic acid KEGG COMPOUND NPPB KEGG COMPOUND Manual Xrefs Databases C13705 KEGG COMPOUND LSM-24963 LINCS View more database links Registry Number Type Source 107254-86-4 CAS Registry Number KEGG COMPOUND Last Modified 25 February 2016