(2Z)-4,4-dimethyl-2-[[2-nitro-4-(trifluoromethylsulfanyl)phenyl]-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2Z)-4,4-dimethyl-2-[[2-nitro-4-(trifluoromethylsulfanyl)phenyl]-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[hydroxy-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[hydroxy-[2-nitro-4-(trifluoromethylthio)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[hydroxy-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-hydroxy-3-[2-nitro-4-(trifluoromethylthio)phenyl]-2-pivaloyl-acrylonitrile Formula: C15H13F3N2O4S MolecularWeight: 374.33493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C(C1=C(C=C(C=C1)SC(F)(F)F)[N+](=O)[O-])O)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C(/C1=C(C=C(C=C1)SC(F)(F)F)[N+](=O)[O-])\O)/C#N

InChI

InChI=1S/C15H13F3N2O4S/c1-14(2,3)13(22)10(7-19)12(21)9-5-4-8(25-15(16,17)18)6-11(9)20(23)24/h4-6,21H,1-3H3/b12-10-