3-[[N-cyano-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoic acid

Systemtic Name: 3-[[N-cyano-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoic acid Openeye Name: 3-[[N-cyano-N'-(2-pyridylmethyl)carbamimidoyl]amino]benzoic acid CAS Name: 3-[[(cyanoamino)-(2-pyridinylmethylimino)methyl]amino]benzoic acid IUPAC Name: 3-[[N-cyano-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoic acid Traditional Name: 3-[[N-cyano-N'-(2-pyridylmethyl)amidino]amino]benzoic acid Formula: C15H13N5O2 MolecularWeight: 295.29602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O2/c16-10-19-15(18-9-13-5-1-2-7-17-13)20-12-6-3-4-11(8-12)14(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20)