ethyl 5-chloranyl-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-chloranyl-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-chloro-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate CAS Name: 5-chloro-1-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate Traditional Name: 5-chloro-1-p-anisyl-triazole-4-carboxylic acid ethyl ester Formula: C13H14ClN3O3 MolecularWeight: 295.72156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)OC)Cl

InChI

InChI=1S/C13H14ClN3O3/c1-3-20-13(18)11-12(14)17(16-15-11)8-9-4-6-10(19-2)7-5-9/h4-7H,3,8H2,1-2H3