(2S)-2-[(E,2R)-1-nitro-4-(2-nitrophenyl)but-3-en-2-yl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(E,2R)-1-nitro-4-(2-nitrophenyl)but-3-en-2-yl]cyclohexan-1-one Openeye Name: (2S)-2-[(E,1R)-1-(nitromethyl)-3-(2-nitrophenyl)allyl]cyclohexanone CAS Name: (2S)-2-[(E,2R)-1-nitro-4-(2-nitrophenyl)but-3-en-2-yl]-1-cyclohexanone IUPAC Name: (2S)-2-[(E,2R)-1-nitro-4-(2-nitrophenyl)but-3-en-2-yl]cyclohexan-1-one Traditional Name: (2S)-2-[(E,1R)-1-(nitromethyl)-3-(2-nitrophenyl)allyl]cyclohexanone Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C[N+](=O)[O-])C=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c19-16-8-4-2-6-14(16)13(11-17(20)21)10-9-12-5-1-3-7-15(12)18(22)23/h1,3,5,7,9-10,13-14H,2,4,6,8,11H2/b10-9+/t13-,14-/m0/s1