3-[[4-(1,2,4-triazol-4-yl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-(1,2,4-triazol-4-yl)phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid CAS Name: 3-[[oxo-[4-(1,2,4-triazol-4-yl)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid Traditional Name: 3-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid Formula: C16H12N4O3 MolecularWeight: 308.29148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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