methyl 3-[[N-cyano-N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]benzoate

Systemtic Name: methyl 3-[[N-cyano-N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]benzoate Openeye Name: methyl 3-[[N-cyano-N'-(3-pyridylmethyl)carbamimidoyl]amino]benzoate CAS Name: 3-[[(cyanoamino)-(3-pyridinylmethylimino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[N-cyano-N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]benzoate Traditional Name: 3-[[N-cyano-N'-(3-pyridylmethyl)amidino]amino]benzoic acid methyl ester Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2/c1-23-15(22)13-5-2-6-14(8-13)21-16(20-11-17)19-10-12-4-3-7-18-9-12/h2-9H,10H2,1H3,(H2,19,20,21)