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

Systemtic Name: 1-[(1S,2R,5R)-2-methyl-5-nitro-2-oxidanyl-5-(1-phenylethenyl)cyclohexyl]ethanone Openeye Name: 1-[(1S,2R,5R)-2-hydroxy-2-methyl-5-nitro-5-(1-phenylvinyl)cyclohexyl]ethanone CAS Name: 1-[(1S,2R,5R)-2-hydroxy-2-methyl-5-nitro-5-(1-phenylethenyl)cyclohexyl]ethanone IUPAC Name: 1-[(1S,2R,5R)-2-hydroxy-2-methyl-5-nitro-5-(1-phenylethenyl)cyclohexyl]ethanone Traditional Name: 1-[(1S,2R,5R)-2-hydroxy-2-methyl-5-nitro-5-(1-phenylvinyl)cyclohexyl]ethanone Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-12(14-7-5-4-6-8-14)17(18(21)22)10-9-16(3,20)15(11-17)13(2)19/h4-8,15,20H,1,9-11H2,2-3H3/t15-,16-,17-/m1/s1