2-[[4-(1,2,4-triazol-4-yl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(1,2,4-triazol-4-yl)phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid CAS Name: 2-[[oxo-[4-(1,2,4-triazol-4-yl)phenyl]methyl]amino]benzoic acid IUPAC Name: 2-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid Traditional Name: 2-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid Formula: C16H12N4O3 MolecularWeight: 308.29148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)N3C=NN=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)N3C=NN=C3

InChI

InChI=1S/C16H12N4O3/c21-15(19-14-4-2-1-3-13(14)16(22)23)11-5-7-12(8-6-11)20-9-17-18-10-20/h1-10H,(H,19,21)(H,22,23)