2-(1,3-benzodioxol-5-ylmethyl)-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 3-keto-4,4-dimethyl-2-piperonyl-valeronitrile Formula: C15H17NO3 MolecularWeight: 259.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CC1=CC2=C(C=C1)OCO2)C#N

Isomeric SMILES

CC(C)(C)C(=O)C(CC1=CC2=C(C=C1)OCO2)C#N

InChI

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