(2S,3R,4R,5S)-2,4-diethanoyl-5-methyl-3-(4-nitrophenyl)-5-oxidanyl-cyclohexan-1-one

Systemtic Name: (2S,3R,4R,5S)-2,4-diethanoyl-5-methyl-3-(4-nitrophenyl)-5-oxidanyl-cyclohexan-1-one Openeye Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(4-nitrophenyl)cyclohexanone CAS Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(4-nitrophenyl)-1-cyclohexanone IUPAC Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(4-nitrophenyl)cyclohexan-1-one Traditional Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(4-nitrophenyl)cyclohexanone Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6/c1-9(19)14-13(21)8-17(3,22)16(10(2)20)15(14)11-4-6-12(7-5-11)18(23)24/h4-7,14-16,22H,8H2,1-3H3/t14-,15-,16+,17-/m0/s1