(2E)-5-methyl-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]hexanenitrile

Systemtic Name: (2E)-5-methyl-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]hexanenitrile Openeye Name: (2E)-2-[hydroxy(phenyl)methylene]-5-methyl-3-oxo-hexanenitrile CAS Name: (2E)-2-[hydroxy(phenyl)methylidene]-5-methyl-3-oxohexanenitrile IUPAC Name: (2E)-2-[hydroxy(phenyl)methylidene]-5-methyl-3-oxohexanenitrile Traditional Name: (E)-3-hydroxy-2-isovaleryl-3-phenyl-acrylonitrile Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO2/c1-10(2)8-13(16)12(9-15)14(17)11-6-4-3-5-7-11/h3-7,10,17H,8H2,1-2H3/b14-12+