[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H17ClN2O4/c1-13(20(26)23-17-4-2-3-14(11-17)12-22)27-19(25)10-9-18(24)15-5-7-16(21)8-6-15/h2-8,11,13H,9-10H2,1H3,(H,23,26)