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

Systemtic Name: 3-[[(4-cyanophenyl)carbamoylamino]methyl]benzoic acid Openeye Name: 3-[[(4-cyanophenyl)carbamoylamino]methyl]benzoic acid CAS Name: 3-[[[(4-cyanoanilino)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[(4-cyanophenyl)carbamoylamino]methyl]benzoic acid Traditional Name: 3-[[(4-cyanophenyl)carbamoylamino]methyl]benzoic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3/c17-9-11-4-6-14(7-5-11)19-16(22)18-10-12-2-1-3-13(8-12)15(20)21/h1-8H,10H2,(H,20,21)(H2,18,19,22)