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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-methoxy-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-methoxy-3-oxo-pentanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-5-methoxy-3-oxopentanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-methoxy-3-oxopentanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-5-methoxy-valeronitrile Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-16-5-4-11(15)10(7-14)9-2-3-12-13(6-9)18-8-17-12/h2-3,6,10H,4-5,8H2,1H3