methyl 4-[3-(1,3-benzodioxol-5-yl)-3-cyano-propanoyl]benzoate

Systemtic Name: methyl 4-[3-(1,3-benzodioxol-5-yl)-3-cyano-propanoyl]benzoate Openeye Name: methyl 4-[3-(1,3-benzodioxol-5-yl)-3-cyano-propanoyl]benzoate CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-3-cyano-1-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzodioxol-5-yl)-3-cyanopropanoyl]benzoate Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-3-cyano-propanoyl]benzoic acid methyl ester Formula: C19H15NO5 MolecularWeight: 337.3261

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H15NO5/c1-23-19(22)13-4-2-12(3-5-13)16(21)8-15(10-20)14-6-7-17-18(9-14)25-11-24-17/h2-7,9,15H,8,11H2,1H3