3-(1,3-benzodioxol-5-yl)-4,4-dimethoxy-butanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4,4-dimethoxy-butanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-4,4-dimethoxy-butanenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-4,4-dimethoxybutanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4,4-dimethoxybutanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-4,4-dimethoxy-butyronitrile Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(CC#N)C1=CC2=C(C=C1)OCO2)OC

Isomeric SMILES

COC(C(CC#N)C1=CC2=C(C=C1)OCO2)OC

InChI

InChI=1S/C13H15NO4/c1-15-13(16-2)10(5-6-14)9-3-4-11-12(7-9)18-8-17-11/h3-4,7,10,13H,5,8H2,1-2H3