2-[[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]carbonylamino]benzoate

Systemtic Name: 2-[[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]carbonylamino]benzoate Openeye Name: 2-[[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methyl]amino]benzoate IUPAC Name: 2-[[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carbonyl]amino]benzoate Traditional Name: 2-[[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carbonyl]amino]benzoate Formula: C12H8N7O3- MolecularWeight: 298.23702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)C2=NC(=NN2)N3C=NN=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)C2=NC(=NN2)N3C=NN=C3

InChI

InChI=1S/C12H9N7O3/c20-10(15-8-4-2-1-3-7(8)11(21)22)9-16-12(18-17-9)19-5-13-14-6-19/h1-6H,(H,15,20)(H,21,22)(H,16,17,18)/p-1