2-(1,3-benzodioxol-5-yl)-3-cyclobutyl-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-cyclobutyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-cyclobutyl-3-oxo-propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-cyclobutyl-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-cyclobutyl-3-oxopropanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-cyclobutyl-3-keto-propionitrile Formula: C14H13NO3 MolecularWeight: 243.25792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(C1)C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H13NO3/c15-7-11(14(16)9-2-1-3-9)10-4-5-12-13(6-10)18-8-17-12/h4-6,9,11H,1-3,8H2