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

Systemtic Name: (2S)-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]cyclohexan-1-one Openeye Name: (2S)-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]cyclohexanone CAS Name: (2S)-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]-1-cyclohexanone IUPAC Name: (2S)-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]cyclohexan-1-one Traditional Name: (2S)-2-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]cyclohexanone Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5/c17-14-7-2-1-6-12(14)13(9-15(18)19)10-4-3-5-11(8-10)16(20)21/h3-5,8,12-13H,1-2,6-7,9H2/t12-,13-/m0/s1