(2E)-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]heptanenitrile

Systemtic Name: (2E)-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]heptanenitrile Openeye Name: (2E)-2-[hydroxy(phenyl)methylene]-3-oxo-heptanenitrile CAS Name: (2E)-2-[hydroxy(phenyl)methylidene]-3-oxoheptanenitrile IUPAC Name: (2E)-2-[hydroxy(phenyl)methylidene]-3-oxoheptanenitrile Traditional Name: (E)-3-hydroxy-3-phenyl-2-valeryl-acrylonitrile Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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