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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-5-ylcarbonyl)butanenitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)butanenitrile CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-5-yl(oxo)methyl]butanenitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)butanenitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-5-carbonyl)butyronitrile Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C(=O)C1=C2C(=CC=C1)OCCO2

Isomeric SMILES

CCC(C#N)C(=O)C1=C2C(=CC=C1)OCCO2

InChI

InChI=1S/C13H13NO3/c1-2-9(8-14)12(15)10-4-3-5-11-13(10)17-7-6-16-11/h3-5,9H,2,6-7H2,1H3