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

Systemtic Name: dimethyl (1R,2S,3R,4S)-4-methyl-2-(2-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: dimethyl (1R,2S,3R,4S)-4-hydroxy-4-methyl-2-(2-nitrophenyl)-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1R,2S,3R,4S)-4-hydroxy-4-methyl-2-(2-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S,3R,4S)-4-hydroxy-4-methyl-2-(2-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1R,2S,3R,4S)-4-hydroxy-6-keto-4-methyl-2-(2-nitrophenyl)cyclohexane-1,3-dicarboxylic acid dimethyl ester Formula: C17H19NO8 MolecularWeight: 365.33466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO8/c1-17(22)8-11(19)13(15(20)25-2)12(14(17)16(21)26-3)9-6-4-5-7-10(9)18(23)24/h4-7,12-14,22H,8H2,1-3H3/t12-,13+,14+,17+/m1/s1