1-(2-ethyl-5-methyl-5-nitro-2-oxidanyl-cyclohexyl)propan-1-one

Systemtic Name: 1-(2-ethyl-5-methyl-5-nitro-2-oxidanyl-cyclohexyl)propan-1-one Openeye Name: 1-(2-ethyl-2-hydroxy-5-methyl-5-nitro-cyclohexyl)propan-1-one CAS Name: 1-(2-ethyl-2-hydroxy-5-methyl-5-nitrocyclohexyl)-1-propanone IUPAC Name: 1-(2-ethyl-2-hydroxy-5-methyl-5-nitrocyclohexyl)propan-1-one Traditional Name: 1-(2-ethyl-2-hydroxy-5-methyl-5-nitro-cyclohexyl)propan-1-one Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO4/c1-4-10(14)9-8-11(3,13(16)17)6-7-12(9,15)5-2/h9,15H,4-8H2,1-3H3