trimethyl 2-(diethylamino)-5-methyl-1-(4-nitrophenyl)-2H-pyrrole-3,4,5-tricarboxylate

Systemtic Name: trimethyl 2-(diethylamino)-5-methyl-1-(4-nitrophenyl)-2H-pyrrole-3,4,5-tricarboxylate Openeye Name: trimethyl 2-(diethylamino)-5-methyl-1-(4-nitrophenyl)-2H-pyrrole-3,4,5-tricarboxylate CAS Name: 2-(diethylamino)-5-methyl-1-(4-nitrophenyl)-2H-pyrrole-3,4,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 2-(diethylamino)-5-methyl-1-(4-nitrophenyl)-2H-pyrrole-3,4,5-tricarboxylate Traditional Name: 5-(diethylamino)-2-methyl-1-(4-nitrophenyl)-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester Formula: C21H27N3O8 MolecularWeight: 449.45438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1C(=C(C(N1C2=CC=C(C=C2)[N+](=O)[O-])(C)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CCN(CC)C1C(=C(C(N1C2=CC=C(C=C2)[N+](=O)[O-])(C)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H27N3O8/c1-7-22(8-2)17-15(18(25)30-4)16(19(26)31-5)21(3,20(27)32-6)23(17)13-9-11-14(12-10-13)24(28)29/h9-12,17H,7-8H2,1-6H3