O2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-isopropyl O2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-isopropyl ester O2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H22N2O8/c1-10(2)30-19(23)16-11(3)17(21-12(16)4)20(24)28-8-14-6-15(22(25)26)5-13-7-27-9-29-18(13)14/h5-6,10,21H,7-9H2,1-4H3