2-(1,3-benzodioxol-2-yl)-2-ethyl-pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-2-yl)-2-ethyl-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-2-yl)-2-ethyl-pentanenitrile CAS Name: 2-(1,3-benzodioxol-2-yl)-2-ethylpentanenitrile IUPAC Name: 2-(1,3-benzodioxol-2-yl)-2-ethylpentanenitrile Traditional Name: 2-(1,3-benzodioxol-2-yl)-2-ethyl-valeronitrile Formula: C14H17NO2 MolecularWeight: 231.29028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)(C#N)C1OC2=CC=CC=C2O1

Isomeric SMILES

CCCC(CC)(C#N)C1OC2=CC=CC=C2O1

InChI

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