dipropan-2-yl (1S,2S,3R,4S)-4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl (1S,2S,3R,4S)-4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diisopropyl (1S,2S,3R,4S)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2S,3R,4S)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (1S,2S,3R,4S)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2S,3R,4S)-4-hydroxy-6-keto-4-methyl-2-(3-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)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO8/c1-11(2)29-19(24)17-15(23)10-21(5,26)18(20(25)30-12(3)4)16(17)13-7-6-8-14(9-13)22(27)28/h6-9,11-12,16-18,26H,10H2,1-5H3/t16-,17-,18+,21+/m1/s1