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

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-m-phenetyl-triazole-4-carboxylate Formula: C13H11N6O4- MolecularWeight: 315.26424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O4/c1-2-22-8-5-3-4-7(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)/p-1