1-(2,5-dimethyl-5-nitro-2-oxidanyl-cyclohexyl)ethanone

Systemtic Name: 1-(2,5-dimethyl-5-nitro-2-oxidanyl-cyclohexyl)ethanone Openeye Name: 1-(2-hydroxy-2,5-dimethyl-5-nitro-cyclohexyl)ethanone CAS Name: 1-(2-hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethanone IUPAC Name: 1-(2-hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethanone Traditional Name: 1-(2-hydroxy-2,5-dimethyl-5-nitro-cyclohexyl)ethanone Formula: C10H17NO4 MolecularWeight: 215.24628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(CCC1(C)O)(C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1CC(CCC1(C)O)(C)[N+](=O)[O-]

InChI

InChI=1S/C10H17NO4/c1-7(12)8-6-9(2,11(14)15)4-5-10(8,3)13/h8,13H,4-6H2,1-3H3