ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1-oxidanidylpyridin-1-ium-3-yl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1-oxidanidylpyridin-1-ium-3-yl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-oxidopyridin-1-ium-3-yl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-oxido-3-pyridin-1-iumyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-oxidopyridin-1-ium-3-yl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(1-oxidopyridin-1-ium-3-yl)triazole-4-carboxylic acid ethyl ester Formula: C12H11N7O4 MolecularWeight: 317.26024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C12H11N7O4/c1-2-22-12(20)8-9(7-4-3-5-18(21)6-7)19(17-14-8)11-10(13)15-23-16-11/h3-6H,2H2,1H3,(H2,13,15)