2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-3-oxo-hexanenitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-3-oxohexanenitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-3-oxohexanenitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-keto-5,5-dimethyl-hexanenitrile Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-16(2,3)9-13(18)12(10-17)11-4-5-14-15(8-11)20-7-6-19-14/h4-5,8,12H,6-7,9H2,1-3H3