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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-yl)-2-cyano-propanoate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-2-cyano-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyanopropanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-yl)-2-cyanopropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-propionic acid methyl ester Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4/c1-15-12(14)9(6-13)4-8-2-3-10-11(5-8)17-7-16-10/h2-3,5,9H,4,7H2,1H3