(4S,5S)-3,3-dimethyl-4-nitro-5-(4-nitrophenyl)cyclohexan-1-one

Systemtic Name: (4S,5S)-3,3-dimethyl-4-nitro-5-(4-nitrophenyl)cyclohexan-1-one Openeye Name: (4S,5S)-3,3-dimethyl-4-nitro-5-(4-nitrophenyl)cyclohexanone CAS Name: (4S,5S)-3,3-dimethyl-4-nitro-5-(4-nitrophenyl)-1-cyclohexanone IUPAC Name: (4S,5S)-3,3-dimethyl-4-nitro-5-(4-nitrophenyl)cyclohexan-1-one Traditional Name: (4S,5S)-3,3-dimethyl-4-nitro-5-(4-nitrophenyl)cyclohexanone Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C[C@H]([C@@H]1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H16N2O5/c1-14(2)8-11(17)7-12(13(14)16(20)21)9-3-5-10(6-4-9)15(18)19/h3-6,12-13H,7-8H2,1-2H3/t12-,13-/m0/s1