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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-oxidanyl-butanenitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-methyl-butanenitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-methylbutanenitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-methylbutanenitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-methyl-butyronitrile Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-12(14,7-13)5-4-9-2-3-10-11(6-9)16-8-15-10/h2-3,6,14H,4-5,8H2,1H3