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

Systemtic Name: 3-(1,3-benzodioxol-5-yloxy)pentanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yloxy)pentanenitrile CAS Name: 3-(1,3-benzodioxol-5-yloxy)pentanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yloxy)pentanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yloxy)valeronitrile Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)OC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(CC#N)OC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H13NO3/c1-2-9(5-6-13)16-10-3-4-11-12(7-10)15-8-14-11/h3-4,7,9H,2,5,8H2,1H3