2-(1,3-benzodioxol-4-yl)heptanenitrile

Systemtic Name: 2-(1,3-benzodioxol-4-yl)heptanenitrile Openeye Name: 2-(1,3-benzodioxol-4-yl)heptanenitrile CAS Name: 2-(1,3-benzodioxol-4-yl)heptanenitrile IUPAC Name: 2-(1,3-benzodioxol-4-yl)heptanenitrile Traditional Name: 2-(1,3-benzodioxol-4-yl)enanthonitrile Formula: C14H17NO2 MolecularWeight: 231.29028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#N)C1=C2C(=CC=C1)OCO2

Isomeric SMILES

CCCCCC(C#N)C1=C2C(=CC=C1)OCO2

InChI

InChI=1S/C14H17NO2/c1-2-3-4-6-11(9-15)12-7-5-8-13-14(12)17-10-16-13/h5,7-8,11H,2-4,6,10H2,1H3