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

Systemtic Name: [2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-chloranylbenzoate Openeye Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-oxo-ethyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-keto-ethyl] ester Formula: C19H16Cl2N2O3 MolecularWeight: 391.24794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O3/c1-13-11-14(7-8-16(13)20)23(10-4-9-22)18(24)12-26-19(25)15-5-2-3-6-17(15)21/h2-3,5-8,11H,4,10,12H2,1H3