(2S,4S)-4-methyl-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]cyclohexan-1-one

Systemtic Name: (2S,4S)-4-methyl-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]cyclohexan-1-one Openeye Name: (2S,4S)-4-methyl-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]cyclohexanone CAS Name: (2S,4S)-4-methyl-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]-1-cyclohexanone IUPAC Name: (2S,4S)-4-methyl-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]cyclohexan-1-one Traditional Name: (2S,4S)-4-methyl-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]cyclohexanone Formula: C15H18N2O5 MolecularWeight: 306.31382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-10-5-6-15(18)13(7-10)14(9-16(19)20)11-3-2-4-12(8-11)17(21)22/h2-4,8,10,13-14H,5-7,9H2,1H3/t10-,13-,14-/m0/s1