2-(5-oxidanyl-2,3-dihydro-1,4-benzodioxin-2-yl)butanenitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C1COC2=C(O1)C=CC=C2O

Isomeric SMILES

CCC(C#N)C1COC2=C(O1)C=CC=C2O

InChI

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