ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(1-imidazol-1-ylcarbonyloxypropyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(1-imidazol-1-ylcarbonyloxypropyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-[1-(imidazole-1-carbonyloxy)propyl]triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-[1-[1-imidazolyl(oxo)methoxy]propyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-[1-(imidazole-1-carbonyloxy)propyl]triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-[1-(imidazole-1-carbonyloxy)propyl]triazole-4-carboxylic acid ethyl ester Formula: C21H22N6O9 MolecularWeight: 502.43418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC(=O)N3C=CN=C3

Isomeric SMILES

CCC(N1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC(=O)N3C=CN=C3

InChI

InChI=1S/C21H22N6O9/c1-5-16(36-21(30)25-8-7-22-11-25)26-23-17(18(24-26)20(29)35-6-2)19(28)12-9-14(33-3)15(34-4)10-13(12)27(31)32/h7-11,16H,5-6H2,1-4H3