[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C21H22N2O6/c1-13-8-9-16(12-14(13)2)19(24)10-11-20(25)29-15(3)21(26)22-17-6-4-5-7-18(17)23(27)28/h4-9,12,15H,10-11H2,1-3H3,(H,22,26)