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

Systemtic Name: (5S,6S)-5-(3-nitrophenyl)-6-(3-nitro-1,2,4-triazol-1-yl)-3-phenyl-cyclohex-2-en-1-one Openeye Name: (5S,6S)-5-(3-nitrophenyl)-6-(3-nitro-1,2,4-triazol-1-yl)-3-phenyl-cyclohex-2-en-1-one CAS Name: (5S,6S)-5-(3-nitrophenyl)-6-(3-nitro-1,2,4-triazol-1-yl)-3-phenyl-1-cyclohex-2-enone IUPAC Name: (5S,6S)-5-(3-nitrophenyl)-6-(3-nitro-1,2,4-triazol-1-yl)-3-phenylcyclohex-2-en-1-one Traditional Name: (5S,6S)-5-(3-nitrophenyl)-6-(3-nitro-1,2,4-triazol-1-yl)-3-phenyl-cyclohex-2-en-1-one Formula: C20H15N5O5 MolecularWeight: 405.3636

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C=C1C2=CC=CC=C2)N3C=NC(=N3)[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=NC(=N3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O5/c26-18-11-15(13-5-2-1-3-6-13)10-17(14-7-4-8-16(9-14)24(27)28)19(18)23-12-21-20(22-23)25(29)30/h1-9,11-12,17,19H,10H2/t17-,19-/m0/s1