4-(1,3-benzodioxol-5-ylmethoxy)butanenitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanenitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanenitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanenitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanenitrile Traditional Name: 4-piperonyloxybutyronitrile Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCCCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCCCC#N

InChI

InChI=1S/C12H13NO3/c13-5-1-2-6-14-8-10-3-4-11-12(7-10)16-9-15-11/h3-4,7H,1-2,6,8-9H2