[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2(CCCC2)C#N)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2(CCCC2)C#N)Cl)C

InChI

InChI=1S/C16H18ClN3O3/c1-10-7-11(2)19-14(17)13(10)15(22)23-8-12(21)20-16(9-18)5-3-4-6-16/h7H,3-6,8H2,1-2H3,(H,20,21)