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

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(3-nitrophenyl)triazole-4-carboxylic acid ethyl ester Formula: C13H11N7O5 MolecularWeight: 345.27034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N7O5/c1-2-24-13(21)9-10(7-4-3-5-8(6-7)20(22)23)19(18-15-9)12-11(14)16-25-17-12/h3-6H,2H2,1H3,(H2,14,16)