ethyl 2-(1,3-benzodioxol-5-yl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-2-cyano-ethanoate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-2-cyano-acetate CAS Name: 2-(1,3-benzodioxol-5-yl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-2-cyanoacetate Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-cyano-acetic acid ethyl ester Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4/c1-2-15-12(14)9(6-13)8-3-4-10-11(5-8)17-7-16-10/h3-5,9H,2,7H2,1H3