1-(2-methyl-5-nitro-2-oxidanyl-5-pentyl-cyclohexyl)ethanone

Systemtic Name: 1-(2-methyl-5-nitro-2-oxidanyl-5-pentyl-cyclohexyl)ethanone Openeye Name: 1-(2-hydroxy-2-methyl-5-nitro-5-pentyl-cyclohexyl)ethanone CAS Name: 1-(2-hydroxy-2-methyl-5-nitro-5-pentylcyclohexyl)ethanone IUPAC Name: 1-(2-hydroxy-2-methyl-5-nitro-5-pentylcyclohexyl)ethanone Traditional Name: 1-(5-amyl-2-hydroxy-2-methyl-5-nitro-cyclohexyl)ethanone Formula: C14H25NO4 MolecularWeight: 271.3526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(C(C1)C(=O)C)(C)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1(CCC(C(C1)C(=O)C)(C)O)[N+](=O)[O-]

InChI

InChI=1S/C14H25NO4/c1-4-5-6-7-14(15(18)19)9-8-13(3,17)12(10-14)11(2)16/h12,17H,4-10H2,1-3H3