2-[(3-cyanophenyl)methylcarbamoyl]benzoic acid

Systemtic Name: 2-[(3-cyanophenyl)methylcarbamoyl]benzoic acid Openeye Name: 2-[(3-cyanophenyl)methylcarbamoyl]benzoic acid CAS Name: 2-[[(3-cyanophenyl)methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-cyanophenyl)methylcarbamoyl]benzoic acid Traditional Name: 2-[(3-cyanobenzyl)carbamoyl]benzoic acid Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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