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

Systemtic Name: diethoxyphosphoryloxymethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate Openeye Name: diethoxyphosphoryloxymethyl 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 diethoxyphosphoryloxymethyl ester IUPAC Name: diethoxyphosphoryloxymethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2H-triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2H-triazole-4-carboxylic acid diethoxyphosphoryloxymethyl ester Formula: C17H21N4O11P MolecularWeight: 488.342601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OCOC(=O)C1=NNN=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOP(=O)(OCC)OCOC(=O)C1=NNN=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C17H21N4O11P/c1-5-30-33(26,31-6-2)32-9-29-17(23)15-14(18-20-19-15)16(22)10-7-12(27-3)13(28-4)8-11(10)21(24)25/h7-8H,5-6,9H2,1-4H3,(H,18,19,20)