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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-octanenitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-octanenitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxooctanenitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxooctanenitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-keto-caprylonitrile Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-2-3-4-5-14(18)13(11-17)12-6-7-15-16(10-12)20-9-8-19-15/h6-7,10,13H,2-5,8-9H2,1H3