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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N7O3/c20-10(15-8-3-1-2-7(4-8)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