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

Systemtic Name: (2E)-4,4-dimethyl-2-[[2-nitro-4-(2-sulfanylideneethoxy)phenyl]-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[hydroxy-[2-nitro-4-(2-thioxoethoxy)phenyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[hydroxy-[2-nitro-4-(2-sulfanylideneethoxy)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[hydroxy-[2-nitro-4-(2-sulfanylideneethoxy)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-hydroxy-3-[2-nitro-4-(2-thioxoethoxy)phenyl]-2-pivaloyl-acrylonitrile Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-16(2,3)15(20)12(9-17)14(19)11-5-4-10(23-6-7-24)8-13(11)18(21)22/h4-5,7-8,19H,6H2,1-3H3/b14-12+