2-(1,3-benzodioxol-5-yl)-3-methyl-butanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-methyl-butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-methyl-butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-methylbutanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-methylbutanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-methyl-butyronitrile Formula: C12H13NO2 MolecularWeight: 203.23712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)C(C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H13NO2/c1-8(2)10(6-13)9-3-4-11-12(5-9)15-7-14-11/h3-5,8,10H,7H2,1-2H3