(3R,4S)-4-nitro-3-(3-nitrophenyl)cyclohexan-1-one

Systemtic Name: (3R,4S)-4-nitro-3-(3-nitrophenyl)cyclohexan-1-one Openeye Name: (3R,4S)-4-nitro-3-(3-nitrophenyl)cyclohexanone CAS Name: (3R,4S)-4-nitro-3-(3-nitrophenyl)-1-cyclohexanone IUPAC Name: (3R,4S)-4-nitro-3-(3-nitrophenyl)cyclohexan-1-one Traditional Name: (3R,4S)-4-nitro-3-(3-nitrophenyl)cyclohexanone Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)C[C@@H]([C@H]1[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O5/c15-10-4-5-12(14(18)19)11(7-10)8-2-1-3-9(6-8)13(16)17/h1-3,6,11-12H,4-5,7H2/t11-,12+/m1/s1