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

Systemtic Name: methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(4-nitrophenyl)triazole-4-carboxylic acid methyl ester Formula: C12H9N7O5 MolecularWeight: 331.24376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N7O5/c1-23-12(20)8-9(6-2-4-7(5-3-6)19(21)22)18(17-14-8)11-10(13)15-24-16-11/h2-5H,1H3,(H2,13,15)