1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1,2,3-triazole-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)O

InChI

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