(5S,6S)-6-(4-nitroimidazol-1-yl)-5-(3-nitrophenyl)-3-phenyl-cyclohex-2-en-1-one

Systemtic Name: (5S,6S)-6-(4-nitroimidazol-1-yl)-5-(3-nitrophenyl)-3-phenyl-cyclohex-2-en-1-one Openeye Name: (5S,6S)-6-(4-nitroimidazol-1-yl)-5-(3-nitrophenyl)-3-phenyl-cyclohex-2-en-1-one CAS Name: (5S,6S)-6-(4-nitro-1-imidazolyl)-5-(3-nitrophenyl)-3-phenyl-1-cyclohex-2-enone IUPAC Name: (5S,6S)-6-(4-nitroimidazol-1-yl)-5-(3-nitrophenyl)-3-phenylcyclohex-2-en-1-one Traditional Name: (5S,6S)-6-(4-nitroimidazol-1-yl)-5-(3-nitrophenyl)-3-phenyl-cyclohex-2-en-1-one Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C=C1C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@H]([C@@H](C(=O)C=C1C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5/c26-19-11-16(14-5-2-1-3-6-14)10-18(15-7-4-8-17(9-15)24(27)28)21(19)23-12-20(22-13-23)25(29)30/h1-9,11-13,18,21H,10H2/t18-,21-/m0/s1