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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-hexanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-3-oxohexanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-3-oxohexanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-5-methyl-hexanenitrile Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-9(2)5-12(16)11(7-15)10-3-4-13-14(6-10)18-8-17-13/h3-4,6,9,11H,5,8H2,1-2H3