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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

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