3-cyano-4-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3-cyano-4-[(phenylmethyl)amino]benzoic acid Openeye Name: 4-(benzylamino)-3-cyano-benzoic acid CAS Name: 3-cyano-4-[(phenylmethyl)amino]benzoic acid IUPAC Name: 4-(benzylamino)-3-cyanobenzoic acid Traditional Name: 4-(benzylamino)-3-cyano-benzoic acid Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C15H12N2O2/c16-9-13-8-12(15(18)19)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-8,17H,10H2,(H,18,19)