4-(1,3-benzodioxol-5-yl)-2-methyl-butanenitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-butanenitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-butanenitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methylbutanenitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-methylbutanenitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-butyronitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)C#N

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)C#N

InChI

InChI=1S/C12H13NO2/c1-9(7-13)2-3-10-4-5-11-12(6-10)15-8-14-11/h4-6,9H,2-3,8H2,1H3