(2Z)-4,4-dimethyl-2-[(6-nitroisoquinolin-1-yl)-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2Z)-4,4-dimethyl-2-[(6-nitroisoquinolin-1-yl)-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[hydroxy-(6-nitro-1-isoquinolyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[hydroxy-(6-nitro-1-isoquinolinyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[hydroxy-(6-nitroisoquinolin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-hydroxy-3-(6-nitro-1-isoquinolyl)-2-pivaloyl-acrylonitrile Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C(C1=NC=CC2=C1C=CC(=C2)[N+](=O)[O-])O)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C(/C1=NC=CC2=C1C=CC(=C2)[N+](=O)[O-])\O)/C#N

InChI

InChI=1S/C17H15N3O4/c1-17(2,3)16(22)13(9-18)15(21)14-12-5-4-11(20(23)24)8-10(12)6-7-19-14/h4-8,21H,1-3H3/b15-13-