1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-methoxy-3-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-methoxy-3-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methoxy-3-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methoxy-3-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methoxy-3-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(4-aminofurazan-3-yl)-5-(4-methoxy-3-nitro-phenyl)triazole-4-carboxylic acid Formula: C12H9N7O6 MolecularWeight: 347.24316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N7O6/c1-24-7-3-2-5(4-6(7)19(22)23)9-8(12(20)21)14-17-18(9)11-10(13)15-25-16-11/h2-4H,1H3,(H2,13,15)(H,20,21)