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

Systemtic Name: ethyl 5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-2-(diethoxyphosphoryloxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(diethoxyphosphoryloxymethyl)triazole-4-carboxylate CAS Name: 5-[(2-amino-4,5-dimethoxyphenyl)-oxomethyl]-2-(diethoxyphosphoryloxymethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-4,5-dimethoxybenzoyl)-2-(diethoxyphosphoryloxymethyl)triazole-4-carboxylate Traditional Name: 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(diethoxyphosphoryloxymethyl)triazole-4-carboxylic acid ethyl ester Formula: C19H27N4O9P MolecularWeight: 486.412841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2N)OC)OC)COP(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2N)OC)OC)COP(=O)(OCC)OCC

InChI

InChI=1S/C19H27N4O9P/c1-6-29-19(25)17-16(18(24)12-9-14(27-4)15(28-5)10-13(12)20)21-23(22-17)11-32-33(26,30-7-2)31-8-3/h9-10H,6-8,11,20H2,1-5H3