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

Systemtic Name: 2-(1,3-benzodioxol-2-yl)-2-methyl-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-2-yl)-2-methyl-pentanenitrile CAS Name: 2-(1,3-benzodioxol-2-yl)-2-methylpentanenitrile IUPAC Name: 2-(1,3-benzodioxol-2-yl)-2-methylpentanenitrile Traditional Name: 2-(1,3-benzodioxol-2-yl)-2-methyl-valeronitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-3-8-13(2,9-14)12-15-10-6-4-5-7-11(10)16-12/h4-7,12H,3,8H2,1-2H3