2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-octanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-octanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-oxo-octanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-oxooctanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-oxooctanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-caprylonitrile Formula: C15H17NO3 MolecularWeight: 259.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCC(=O)C(C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H17NO3/c1-2-3-4-5-13(17)12(9-16)11-6-7-14-15(8-11)19-10-18-14/h6-8,12H,2-5,10H2,1H3