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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-ethoxy-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-ethoxy-3-oxo-pentanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-5-ethoxy-3-oxopentanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-ethoxy-3-oxopentanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-ethoxy-3-keto-valeronitrile Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4/c1-2-17-6-5-12(16)11(8-15)10-3-4-13-14(7-10)19-9-18-13/h3-4,7,11H,2,5-6,9H2,1H3