methyl 3-[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[4-(4-methoxyphenyl)triazol-1-yl]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[4-(4-methoxyphenyl)-1-triazolyl]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-methoxyphenyl)triazol-1-yl]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[4-(4-methoxyphenyl)triazol-1-yl]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(N=N2)C3=NNC(=N3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(N=N2)C3=NNC(=N3)C(=O)OC

InChI

InChI=1S/C13H12N6O3/c1-21-9-5-3-8(4-6-9)10-7-19(18-15-10)13-14-11(16-17-13)12(20)22-2/h3-7H,1-2H3,(H,14,16,17)