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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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