2-(1,3-benzodioxol-5-ylcarbonyl)butanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonyl)butanenitrile Openeye Name: 2-(1,3-benzodioxole-5-carbonyl)butanenitrile CAS Name: 2-[1,3-benzodioxol-5-yl(oxo)methyl]butanenitrile IUPAC Name: 2-(1,3-benzodioxole-5-carbonyl)butanenitrile Traditional Name: 2-piperonyloylbutyronitrile Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(C#N)C(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H11NO3/c1-2-8(6-13)12(14)9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,2,7H2,1H3