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

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(phenylcarbonyloxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 2-(benzoyloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylate CAS Name: 2-(benzoyloxymethyl)-5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoyloxymethyl)-5-(4,5-dimethoxy-2-nitrobenzoyl)triazole-4-carboxylate Traditional Name: 2-(benzoyloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid ethyl ester Formula: C22H20N4O9 MolecularWeight: 484.4156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N4O9/c1-4-34-22(29)19-18(23-25(24-19)12-35-21(28)13-8-6-5-7-9-13)20(27)14-10-16(32-2)17(33-3)11-15(14)26(30)31/h5-11H,4,12H2,1-3H3