O2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester O4-isopropyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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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)OCCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H24N2O7/c1-11(2)30-20(25)18-12(3)19(22-13(18)4)21(26)29-10-17(24)23-14-5-6-15-16(9-14)28-8-7-27-15/h5-6,9,11,22H,7-8,10H2,1-4H3,(H,23,24)