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

Systemtic Name: (2Z)-4,4-dimethyl-2-[(2-nitro-4-pentyl-phenyl)-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[hydroxy-(2-nitro-4-pentyl-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[hydroxy-(2-nitro-4-pentylphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[hydroxy-(2-nitro-4-pentylphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-(4-amyl-2-nitro-phenyl)-3-hydroxy-2-pivaloyl-acrylonitrile Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C(=C(C#N)C(=O)C(C)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)/C(=C(\C#N)/C(=O)C(C)(C)C)/O)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O4/c1-5-6-7-8-13-9-10-14(16(11-13)21(24)25)17(22)15(12-20)18(23)19(2,3)4/h9-11,22H,5-8H2,1-4H3/b17-15-