2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxo-hexanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxohexanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxohexanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-4-methyl-hexanenitrile Formula: C14H15NO3 MolecularWeight: 245.2738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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