(3E,5E)-3,5-bis[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: (3E,5E)-3,5-bis[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: (3E,5E)-3,5-bis[(4-hydroxy-3-nitro-phenyl)methylene]-4-oxo-1-phenyl-cyclohexanecarbonitrile CAS Name: (3E,5E)-3,5-bis[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: (3E,5E)-3,5-bis[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-1-phenylcyclohexane-1-carbonitrile Traditional Name: (3E,5E)-3,5-bis(4-hydroxy-3-nitro-benzylidene)-4-keto-1-phenyl-cyclohexanecarbonitrile Formula: C27H19N3O7 MolecularWeight: 497.45566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])CC1(C#N)C4=CC=CC=C4

Isomeric SMILES

C\1C(C/C(=C\C2=CC(=C(C=C2)O)[N+](=O)[O-])/C(=O)/C1=C/C3=CC(=C(C=C3)O)[N+](=O)[O-])(C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H19N3O7/c28-16-27(21-4-2-1-3-5-21)14-19(10-17-6-8-24(31)22(12-17)29(34)35)26(33)20(15-27)11-18-7-9-25(32)23(13-18)30(36)37/h1-13,31-32H,14-15H2/b19-10+,20-11+