methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methoxyphenyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methoxyphenyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methoxyphenyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(4-methoxyphenyl)triazole-4-carboxylic acid methyl ester Formula: C13H12N6O4 MolecularWeight: 316.27218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)OC

InChI

InChI=1S/C13H12N6O4/c1-21-8-5-3-7(4-6-8)10-9(13(20)22-2)15-18-19(10)12-11(14)16-23-17-12/h3-6H,1-2H3,(H2,14,16)