1-[(1S,2R,5R)-2-methyl-5-nitro-2-oxidanyl-5-propan-2-yl-cyclohexyl]ethanone

Systemtic Name: 1-[(1S,2R,5R)-2-methyl-5-nitro-2-oxidanyl-5-propan-2-yl-cyclohexyl]ethanone Openeye Name: 1-[(1S,2R,5R)-2-hydroxy-5-isopropyl-2-methyl-5-nitro-cyclohexyl]ethanone CAS Name: 1-[(1S,2R,5R)-2-hydroxy-2-methyl-5-nitro-5-propan-2-ylcyclohexyl]ethanone IUPAC Name: 1-[(1S,2R,5R)-2-hydroxy-2-methyl-5-nitro-5-propan-2-ylcyclohexyl]ethanone Traditional Name: 1-[(1S,2R,5R)-2-hydroxy-5-isopropyl-2-methyl-5-nitro-cyclohexyl]ethanone Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC(C(C1)C(=O)C)(C)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@]1(CC[C@@]([C@H](C1)C(=O)C)(C)O)[N+](=O)[O-]

InChI

InChI=1S/C12H21NO4/c1-8(2)12(13(16)17)6-5-11(4,15)10(7-12)9(3)14/h8,10,15H,5-7H2,1-4H3/t10-,11-,12-/m1/s1