4-[[(3-cyanophenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3-cyanophenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(3-cyanobenzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[(3-cyanophenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-cyanobenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-cyanobenzoyl)amino]methyl]benzoic acid Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C16H12N2O3/c17-9-12-2-1-3-14(8-12)15(19)18-10-11-4-6-13(7-5-11)16(20)21/h1-8H,10H2,(H,18,19)(H,20,21)