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

Systemtic Name: (2S,4S)-2-[(1R)-1-(2-chlorophenyl)-2-nitro-ethyl]-4-methyl-cyclohexan-1-one Openeye Name: (2S,4S)-2-[(1R)-1-(2-chlorophenyl)-2-nitro-ethyl]-4-methyl-cyclohexanone CAS Name: (2S,4S)-2-[(1R)-1-(2-chlorophenyl)-2-nitroethyl]-4-methyl-1-cyclohexanone IUPAC Name: (2S,4S)-2-[(1R)-1-(2-chlorophenyl)-2-nitroethyl]-4-methylcyclohexan-1-one Traditional Name: (2S,4S)-2-[(1R)-1-(2-chlorophenyl)-2-nitro-ethyl]-4-methyl-cyclohexanone Formula: C15H18ClNO3 MolecularWeight: 295.76132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=CC=CC=C2Cl

Isomeric SMILES

C[C@H]1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])C2=CC=CC=C2Cl

InChI

InChI=1S/C15H18ClNO3/c1-10-6-7-15(18)12(8-10)13(9-17(19)20)11-4-2-3-5-14(11)16/h2-5,10,12-13H,6-9H2,1H3/t10-,12-,13-/m0/s1