[2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methylbenzoate

Systemtic Name: [2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-keto-ethyl] ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3/c1-14-6-3-4-7-17(14)20(25)26-13-19(24)23(11-5-10-22)16-8-9-18(21)15(2)12-16/h3-4,6-9,12H,5,11,13H2,1-2H3