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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h7-10,16-17H,5-6,11H2,1-4H3/t16?,17-/m1/s1