2-[3-(1,3-benzodioxol-5-yl)phenyl]ethanenitrile

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]ethanenitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]acetonitrile CAS Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]acetonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]acetonitrile Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]acetonitrile Formula: C15H11NO2 MolecularWeight: 237.25334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=CC=C3)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=CC=C3)CC#N

InChI

InChI=1S/C15H11NO2/c16-7-6-11-2-1-3-12(8-11)13-4-5-14-15(9-13)18-10-17-14/h1-5,8-9H,6,10H2