(2E)-4-methyl-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]hexanenitrile

Systemtic Name: (2E)-4-methyl-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]hexanenitrile Openeye Name: (2E)-2-[hydroxy(phenyl)methylene]-4-methyl-3-oxo-hexanenitrile CAS Name: (2E)-2-[hydroxy(phenyl)methylidene]-4-methyl-3-oxohexanenitrile IUPAC Name: (2E)-2-[hydroxy(phenyl)methylidene]-4-methyl-3-oxohexanenitrile Traditional Name: (E)-3-hydroxy-2-(2-methylbutanoyl)-3-phenyl-acrylonitrile Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=C(C1=CC=CC=C1)O)C#N

Isomeric SMILES

CCC(C)C(=O)/C(=C(\C1=CC=CC=C1)/O)/C#N

InChI

InChI=1S/C14H15NO2/c1-3-10(2)13(16)12(9-15)14(17)11-7-5-4-6-8-11/h4-8,10,17H,3H2,1-2H3/b14-12+