(2E)-4,4-dimethyl-2-[(6-nitro-2-oxidanylidene-1,3-benzodioxol-5-yl)-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-2-[(6-nitro-2-oxidanylidene-1,3-benzodioxol-5-yl)-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[hydroxy-(6-nitro-2-oxo-1,3-benzodioxol-5-yl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[hydroxy-(6-nitro-2-oxo-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[hydroxy-(6-nitro-2-oxo-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-hydroxy-3-(2-keto-6-nitro-1,3-benzodioxol-5-yl)-2-pivaloyl-acrylonitrile Formula: C15H12N2O7 MolecularWeight: 332.26498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C(C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)O2)O)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C(\C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)O2)/O)/C#N

InChI

InChI=1S/C15H12N2O7/c1-15(2,3)13(19)8(6-16)12(18)7-4-10-11(24-14(20)23-10)5-9(7)17(21)22/h4-5,18H,1-3H3/b12-8+