3-(1,3-benzodioxol-5-ylmethoxy)pentanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethoxy)pentanenitrile Openeye Name: 3-(1,3-benzodioxol-5-ylmethoxy)pentanenitrile CAS Name: 3-(1,3-benzodioxol-5-ylmethoxy)pentanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-ylmethoxy)pentanenitrile Traditional Name: 3-piperonyloxyvaleronitrile Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)OCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(CC#N)OCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H15NO3/c1-2-11(5-6-14)15-8-10-3-4-12-13(7-10)17-9-16-12/h3-4,7,11H,2,5,8-9H2,1H3