methyl 3-butanoyl-6,6-dimethyl-4-[(3-nitrophenyl)amino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-6,6-dimethyl-4-[(3-nitrophenyl)amino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-6,6-dimethyl-4-(3-nitroanilino)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-4-(3-nitroanilino)-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-6,6-dimethyl-4-(3-nitroanilino)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-2-keto-6,6-dimethyl-4-(3-nitroanilino)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-5-7-15(23)16-14(21-12-8-6-9-13(10-12)22(26)27)11-20(2,3)17(18(16)24)19(25)28-4/h6,8-10,17,21H,5,7,11H2,1-4H3