5-[N'-[2-(2-chlorophenyl)ethyl]-N-cyano-carbamimidoyl]pyridine-3-carboxylic acid

Systemtic Name: 5-[N'-[2-(2-chlorophenyl)ethyl]-N-cyano-carbamimidoyl]pyridine-3-carboxylic acid Openeye Name: 5-[N'-[2-(2-chlorophenyl)ethyl]-N-cyano-carbamimidoyl]pyridine-3-carboxylic acid CAS Name: 5-[2-(2-chlorophenyl)ethylimino-(cyanoamino)methyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[N'-[2-(2-chlorophenyl)ethyl]-N-cyanocarbamimidoyl]pyridine-3-carboxylic acid Traditional Name: 5-[N'-[2-(2-chlorophenyl)ethyl]-N-cyano-amidino]nicotinic acid Formula: C16H13ClN4O2 MolecularWeight: 328.75302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2/c17-14-4-2-1-3-11(14)5-6-20-15(21-10-18)12-7-13(16(22)23)9-19-8-12/h1-4,7-9H,5-6H2,(H,20,21)(H,22,23)