dipropan-2-yl (1S,2R,3S,5S)-5-methyl-2-(4-nitrophenyl)-5-oxidanyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl (1S,2R,3S,5S)-5-methyl-2-(4-nitrophenyl)-5-oxidanyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diisopropyl (1S,2R,3S,5S)-5-hydroxy-5-methyl-2-(4-nitrophenyl)-4-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3S,5S)-5-hydroxy-5-methyl-2-(4-nitrophenyl)-4-oxocyclohexane-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (1S,2R,3S,5S)-5-hydroxy-5-methyl-2-(4-nitrophenyl)-4-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3S,5S)-5-hydroxy-4-keto-5-methyl-2-(4-nitrophenyl)cyclohexane-1,3-dicarboxylic acid diisopropyl ester Formula: C21H27NO8 MolecularWeight: 421.44098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC(C(=O)C(C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)(C)O

Isomeric SMILES

CC(C)OC(=O)[C@H]1C[C@](C(=O)[C@H]([C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)(C)O

InChI

InChI=1S/C21H27NO8/c1-11(2)29-19(24)15-10-21(5,26)18(23)17(20(25)30-12(3)4)16(15)13-6-8-14(9-7-13)22(27)28/h6-9,11-12,15-17,26H,10H2,1-5H3/t15-,16+,17-,21-/m0/s1