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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-oxo-pentanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-oxopentanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-oxopentanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-valeronitrile Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-2-10(14)9(6-13)8-3-4-11-12(5-8)16-7-15-11/h3-5,9H,2,7H2,1H3