2-chloranyl-5-[[4-(1,2,4-triazol-4-yl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[4-(1,2,4-triazol-4-yl)phenyl]carbonylamino]benzoic acid Openeye Name: 2-chloro-5-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid CAS Name: 2-chloro-5-[[oxo-[4-(1,2,4-triazol-4-yl)phenyl]methyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid Formula: C16H11ClN4O3 MolecularWeight: 342.73654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)N3C=NN=C3

InChI

InChI=1S/C16H11ClN4O3/c17-14-6-3-11(7-13(14)16(23)24)20-15(22)10-1-4-12(5-2-10)21-8-18-19-9-21/h1-9H,(H,20,22)(H,23,24)