O4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H22N2O7/c1-5-26-20(25)17-10(2)16(11(3)21-17)19(24)29-12(4)18(23)22-13-6-7-14-15(8-13)28-9-27-14/h6-8,12,21H,5,9H2,1-4H3,(H,22,23)