2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-heptanenitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-2-3-4-12(16)11(8-15)10-5-6-13-14(7-10)18-9-17-13/h5-7,11H,2-4,9H2,1H3