(3E)-3-[ethoxy(oxidanyl)methylidene]-1-methylsulfonyl-2-(2-nitrophenyl)-4-oxidanylidene-6-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: (3E)-3-[ethoxy(oxidanyl)methylidene]-1-methylsulfonyl-2-(2-nitrophenyl)-4-oxidanylidene-6-phenyl-cyclohexane-1-carbonitrile Openeye Name: (3E)-3-[ethoxy(hydroxy)methylene]-1-methylsulfonyl-2-(2-nitrophenyl)-4-oxo-6-phenyl-cyclohexanecarbonitrile CAS Name: (3E)-3-[ethoxy(hydroxy)methylidene]-1-methylsulfonyl-2-(2-nitrophenyl)-4-oxo-6-phenyl-1-cyclohexanecarbonitrile IUPAC Name: (3E)-3-[ethoxy(hydroxy)methylidene]-1-methylsulfonyl-2-(2-nitrophenyl)-4-oxo-6-phenylcyclohexane-1-carbonitrile Traditional Name: (3E)-3-[ethoxy(hydroxy)methylene]-4-keto-1-mesyl-2-(2-nitrophenyl)-6-phenyl-cyclohexanecarbonitrile Formula: C23H22N2O7S MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(C(CC1=O)C2=CC=CC=C2)(C#N)S(=O)(=O)C)C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

CCO/C(=C/1\C(C(C(CC1=O)C2=CC=CC=C2)(C#N)S(=O)(=O)C)C3=CC=CC=C3[N+](=O)[O-])/O

InChI

InChI=1S/C23H22N2O7S/c1-3-32-22(27)20-19(26)13-17(15-9-5-4-6-10-15)23(14-24,33(2,30)31)21(20)16-11-7-8-12-18(16)25(28)29/h4-12,17,21,27H,3,13H2,1-2H3/b22-20-