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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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