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

Systemtic Name: 1-[(1S,2R,5S)-2-methyl-5-nitro-2-oxidanyl-5-phenyl-cyclohexyl]ethanone Openeye Name: 1-[(1S,2R,5S)-2-hydroxy-2-methyl-5-nitro-5-phenyl-cyclohexyl]ethanone CAS Name: 1-[(1S,2R,5S)-2-hydroxy-2-methyl-5-nitro-5-phenylcyclohexyl]ethanone IUPAC Name: 1-[(1S,2R,5S)-2-hydroxy-2-methyl-5-nitro-5-phenylcyclohexyl]ethanone Traditional Name: 1-[(1S,2R,5S)-2-hydroxy-2-methyl-5-nitro-5-phenyl-cyclohexyl]ethanone Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(CCC1(C)O)(C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c1-11(17)13-10-15(16(19)20,9-8-14(13,2)18)12-6-4-3-5-7-12/h3-7,13,18H,8-10H2,1-2H3/t13-,14-,15+/m1/s1