methyl (1S)-5-butanoyl-2,2-dimethyl-4-(3-nitrophenyl)imino-6-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S)-5-butanoyl-2,2-dimethyl-4-(3-nitrophenyl)imino-6-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S)-5-butanoyl-2,2-dimethyl-4-(3-nitrophenyl)imino-6-oxo-cyclohexanecarboxylate CAS Name: (1S)-2,2-dimethyl-4-(3-nitrophenyl)imino-6-oxo-5-(1-oxobutyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-5-butanoyl-2,2-dimethyl-4-(3-nitrophenyl)imino-6-oxocyclohexane-1-carboxylate Traditional Name: (1S)-5-butyryl-6-keto-2,2-dimethyl-4-(3-nitrophenyl)imino-cyclohexanecarboxylic acid methyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=NC2=CC(=CC=C2)[N+](=O)[O-])CC(C(C1=O)C(=O)OC)(C)C

Isomeric SMILES

CCCC(=O)C1C(=NC2=CC(=CC=C2)[N+](=O)[O-])CC([C@@H](C1=O)C(=O)OC)(C)C

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/h6,8-10,16-17H,5,7,11H2,1-4H3/t16?,17-/m0/s1