bis(2-methylpropyl) (1S,2S,3S,4S)-4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: bis(2-methylpropyl) (1S,2S,3S,4S)-4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diisobutyl (1S,2S,3S,4S)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2S,3S,4S)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) (1S,2S,3S,4S)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2S,3S,4S)-4-hydroxy-6-keto-4-methyl-2-(3-nitrophenyl)cyclohexane-1,3-dicarboxylic acid diisobutyl ester Formula: C23H31NO8 MolecularWeight: 449.49414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)[C@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H31NO8/c1-13(2)11-31-21(26)19-17(25)10-23(5,28)20(22(27)32-12-14(3)4)18(19)15-7-6-8-16(9-15)24(29)30/h6-9,13-14,18-20,28H,10-12H2,1-5H3/t18-,19-,20-,23+/m1/s1