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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-10-2-7-15(18)13(8-10)14(9-16(19)20)11-3-5-12(6-4-11)17(21)22/h3-6,10,13-14H,2,7-9H2,1H3/t10-,13-,14-/m0/s1