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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-propanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyanopropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-propionic acid ethyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)C#N

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)C#N

InChI

InChI=1S/C13H13NO4/c1-2-16-13(15)10(7-14)5-9-3-4-11-12(6-9)18-8-17-11/h3-4,6,10H,2,5,8H2,1H3