ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-[(4-nitrophenoxy)carbonyloxymethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-[(4-nitrophenoxy)carbonyloxymethyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-[(4-nitrophenoxy)carbonyloxymethyl]triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-[[(4-nitrophenoxy)-oxomethoxy]methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-[(4-nitrophenoxy)carbonyloxymethyl]triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-[(4-nitrophenoxy)carbonyloxymethyl]triazole-4-carboxylic acid ethyl ester Formula: C22H19N5O12 MolecularWeight: 545.41256

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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)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O12/c1-4-37-21(29)19-18(20(28)14-9-16(35-2)17(36-3)10-15(14)27(33)34)23-25(24-19)11-38-22(30)39-13-7-5-12(6-8-13)26(31)32/h5-10H,4,11H2,1-3H3