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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-hexanenitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-hexanenitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxohexanenitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxohexanenitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-keto-hexanenitrile Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-2-3-12(16)11(9-15)10-4-5-13-14(8-10)18-7-6-17-13/h4-5,8,11H,2-3,6-7H2,1H3