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

Systemtic Name: (2Z)-4,4-dimethyl-2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[hydroxy-(4-methylsulfonyl-2-nitro-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[hydroxy-(4-methylsulfonyl-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[hydroxy-(4-methylsulfonyl-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-hydroxy-3-(4-mesyl-2-nitro-phenyl)-2-pivaloyl-acrylonitrile Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O6S/c1-15(2,3)14(19)11(8-16)13(18)10-6-5-9(24(4,22)23)7-12(10)17(20)21/h5-7,18H,1-4H3/b13-11-