[1,3-benzodioxol-5-yl-[6-(cyanomethyl)-2,3-dimethoxy-phenyl]methyl] ethyl carbonate

Systemtic Name: [1,3-benzodioxol-5-yl-[6-(cyanomethyl)-2,3-dimethoxy-phenyl]methyl] ethyl carbonate Openeye Name: [1,3-benzodioxol-5-yl-[6-(cyanomethyl)-2,3-dimethoxy-phenyl]methyl] ethyl carbonate CAS Name: carbonic acid [1,3-benzodioxol-5-yl-[6-(cyanomethyl)-2,3-dimethoxyphenyl]methyl] ethyl ester IUPAC Name: [1,3-benzodioxol-5-yl-[6-(cyanomethyl)-2,3-dimethoxyphenyl]methyl] ethyl carbonate Traditional Name: carbonic acid [1,3-benzodioxol-5-yl-[6-(cyanomethyl)-2,3-dimethoxy-phenyl]methyl] ethyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C1=CC2=C(C=C1)OCO2)C3=C(C=CC(=C3OC)OC)CC#N

Isomeric SMILES

CCOC(=O)OC(C1=CC2=C(C=C1)OCO2)C3=C(C=CC(=C3OC)OC)CC#N

InChI

InChI=1S/C21H21NO7/c1-4-26-21(23)29-19(14-6-7-15-17(11-14)28-12-27-15)18-13(9-10-22)5-8-16(24-2)20(18)25-3/h5-8,11,19H,4,9,12H2,1-3H3