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

Systemtic Name: ethyl 2-(diethoxyphosphoryloxymethyl)-5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 2-(diethoxyphosphoryloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylate CAS Name: 2-(diethoxyphosphoryloxymethyl)-5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(diethoxyphosphoryloxymethyl)-5-(4,5-dimethoxy-2-nitrobenzoyl)triazole-4-carboxylate Traditional Name: 2-(diethoxyphosphoryloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid ethyl ester Formula: C19H25N4O11P MolecularWeight: 516.395761

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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)COP(=O)(OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H25N4O11P/c1-6-31-19(25)17-16(20-22(21-17)11-34-35(28,32-7-2)33-8-3)18(24)12-9-14(29-4)15(30-5)10-13(12)23(26)27/h9-10H,6-8,11H2,1-5H3