[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-13-4-5-14(2)18(10-13)20(26)8-9-21(27)29-15(3)22(28)25-17-7-6-16(12-24)19(23)11-17/h4-7,10-11,15H,8-9H2,1-3H3,(H,25,28)