[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-14-6-7-15(2)18(10-14)19(24)8-9-21(26)27-13-20(25)23-17-5-3-4-16(11-17)12-22/h3-7,10-11H,8-9,13H2,1-2H3,(H,23,25)