O2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-2-(piperonylamino)ethyl] ester O4-methyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C)C(=O)OC

InChI

InChI=1S/C20H22N2O7/c1-4-13-17(19(24)26-3)11(2)18(22-13)20(25)27-9-16(23)21-8-12-5-6-14-15(7-12)29-10-28-14/h5-7,22H,4,8-10H2,1-3H3,(H,21,23)