2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-3-oxo-hexanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-3-oxohexanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-3-oxohexanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-5,5-dimethyl-hexanenitrile Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)(C)CC(=O)C(C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H17NO3/c1-15(2,3)7-12(17)11(8-16)10-4-5-13-14(6-10)19-9-18-13/h4-6,11H,7,9H2,1-3H3