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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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