diethyl 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylate Openeye Name: diethyl 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylate CAS Name: 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylate Traditional Name: 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C15H21N4O4+ MolecularWeight: 321.35164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)N2C=N[N+](=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)N2C=N[N+](=C2)C)C

InChI

InChI=1S/C15H21N4O4/c1-6-22-14(20)12-10(3)19(18-8-16-17(5)9-18)11(4)13(12)15(21)23-7-2/h8-9H,6-7H2,1-5H3/q+1