2-[[4-(cyanomethyl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(cyanomethyl)phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(cyanomethyl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-(cyanomethyl)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(cyanomethyl)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(cyanomethyl)phenyl]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)NC2=CC=C(C=C2)CC#N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)CC#N)C(=O)O

InChI

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