3-[[N-cyano-N'-(phenylmethyl)carbamimidoyl]amino]benzoic acid

Systemtic Name: 3-[[N-cyano-N'-(phenylmethyl)carbamimidoyl]amino]benzoic acid Openeye Name: 3-[(N'-benzyl-N-cyano-carbamimidoyl)amino]benzoic acid CAS Name: 3-[[(cyanoamino)-(phenylmethyl)iminomethyl]amino]benzoic acid IUPAC Name: 3-[(N'-benzyl-N-cyanocarbamimidoyl)amino]benzoic acid Traditional Name: 3-[(N'-benzyl-N-cyano-amidino)amino]benzoic acid Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2/c17-11-19-16(18-10-12-5-2-1-3-6-12)20-14-8-4-7-13(9-14)15(21)22/h1-9H,10H2,(H,21,22)(H2,18,19,20)