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

Systemtic Name: 1-imidazol-1-ylcarbonyloxypropyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate Openeye Name: 1-(imidazole-1-carbonyloxy)propyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2H-triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2H-triazole-4-carboxylic acid 1-[1-imidazolyl(oxo)methoxy]propyl ester IUPAC Name: 1-(imidazole-1-carbonyloxy)propyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2H-triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2H-triazole-4-carboxylic acid 1-(imidazole-1-carbonyloxy)propyl ester Formula: C19H18N6O9 MolecularWeight: 474.38102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)C1=NNN=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC(=O)N3C=CN=C3

Isomeric SMILES

CCC(OC(=O)C1=NNN=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC(=O)N3C=CN=C3

InChI

InChI=1S/C19H18N6O9/c1-4-14(34-19(28)24-6-5-20-9-24)33-18(27)16-15(21-23-22-16)17(26)10-7-12(31-2)13(32-3)8-11(10)25(29)30/h5-9,14H,4H2,1-3H3,(H,21,22,23)