2-(4-butoxyphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(4-butoxyphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(4-butoxyphenyl)-3-oxo-propanenitrile CAS Name: 2-(4-butoxyphenyl)-3-oxopropanenitrile IUPAC Name: 2-(4-butoxyphenyl)-3-oxopropanenitrile Traditional Name: 2-(4-butoxyphenyl)-3-keto-propionitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C=O)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C=O)C#N

InChI

InChI=1S/C13H15NO2/c1-2-3-8-16-13-6-4-11(5-7-13)12(9-14)10-15/h4-7,10,12H,2-3,8H2,1H3