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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H18ClN3O3 MolecularWeight: 371.81752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)Cl)C

InChI

InChI=1S/C19H18ClN3O3/c1-13-11-14(2)22-18(20)17(13)19(25)26-12-16(24)23(10-6-9-21)15-7-4-3-5-8-15/h3-5,7-8,11H,6,10,12H2,1-2H3