diethyl 5-(1,3-benzodioxol-5-ylcarbonyloxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-(1,3-benzodioxol-5-ylcarbonyloxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-(1,3-benzodioxole-5-carbonyloxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1,3-benzodioxole-5-carbonyloxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piperonyloyloxymethyl)-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C20H21NO8 MolecularWeight: 403.38264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO8/c1-4-25-19(23)16-11(3)17(20(24)26-5-2)21-13(16)9-27-18(22)12-6-7-14-15(8-12)29-10-28-14/h6-8,21H,4-5,9-10H2,1-3H3