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

Systemtic Name: methyl (1R)-3-butanoyl-6,6-dimethyl-4-[(4-nitrophenyl)amino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R)-3-butanoyl-6,6-dimethyl-4-(4-nitroanilino)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1R)-6,6-dimethyl-4-(4-nitroanilino)-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R)-3-butanoyl-6,6-dimethyl-4-(4-nitroanilino)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1R)-3-butyryl-2-keto-6,6-dimethyl-4-(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-5-6-15(23)16-14(21-12-7-9-13(10-8-12)22(26)27)11-20(2,3)17(18(16)24)19(25)28-4/h7-10,17,21H,5-6,11H2,1-4H3/t17-/m1/s1