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

Systemtic Name: (2S,4S)-4-methyl-2-[(1R)-1-(4-methylphenyl)-2-nitro-ethyl]cyclohexan-1-one Openeye Name: (2S,4S)-4-methyl-2-[(1R)-2-nitro-1-(p-tolyl)ethyl]cyclohexanone CAS Name: (2S,4S)-4-methyl-2-[(1R)-1-(4-methylphenyl)-2-nitroethyl]-1-cyclohexanone IUPAC Name: (2S,4S)-4-methyl-2-[(1R)-1-(4-methylphenyl)-2-nitroethyl]cyclohexan-1-one Traditional Name: (2S,4S)-4-methyl-2-[(1R)-2-nitro-1-(p-tolyl)ethyl]cyclohexanone Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-11-3-6-13(7-4-11)15(10-17(19)20)14-9-12(2)5-8-16(14)18/h3-4,6-7,12,14-15H,5,8-10H2,1-2H3/t12-,14-,15-/m0/s1