ethyl 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-methyl-triazole-4-carboxylate CAS Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-methyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-methyltriazole-4-carboxylate Traditional Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-methyl-triazole-4-carboxylic acid ethyl ester Formula: C17H24N3O5P MolecularWeight: 381.363321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(N=C1C)C2=CC=C(C=C2)CP(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C1=NN(N=C1C)C2=CC=C(C=C2)CP(=O)(OCC)OCC

InChI

InChI=1S/C17H24N3O5P/c1-5-23-17(21)16-13(4)18-20(19-16)15-10-8-14(9-11-15)12-26(22,24-6-2)25-7-3/h8-11H,5-7,12H2,1-4H3