2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-pentanenitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-pentanenitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopentanenitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopentanenitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-keto-valeronitrile Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C#N)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCC(=O)C(C#N)C1=CC2=C(C=C1)OCCO2

InChI

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