(2S,4S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-4-methyl-cyclohexan-1-one

Systemtic Name: (2S,4S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-4-methyl-cyclohexan-1-one Openeye Name: (2S,4S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-4-methyl-cyclohexanone CAS Name: (2S,4S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-4-methyl-1-cyclohexanone IUPAC Name: (2S,4S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-4-methylcyclohexan-1-one Traditional Name: (2S,4S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-4-methyl-cyclohexanone Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H]1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21NO4/c1-11-3-8-16(18)14(9-11)15(10-17(19)20)12-4-6-13(21-2)7-5-12/h4-7,11,14-15H,3,8-10H2,1-2H3/t11-,14-,15-/m0/s1