3-[2-(2-methylphenyl)-3-oxidanylidene-1H-1,2,4-triazol-5-yl]benzoic acid

Systemtic Name: 3-[2-(2-methylphenyl)-3-oxidanylidene-1H-1,2,4-triazol-5-yl]benzoic acid Openeye Name: 3-[2-(o-tolyl)-3-oxo-1H-1,2,4-triazol-5-yl]benzoic acid CAS Name: 3-[2-(2-methylphenyl)-3-oxo-1H-1,2,4-triazol-5-yl]benzoic acid IUPAC Name: 3-[2-(2-methylphenyl)-3-oxo-1H-1,2,4-triazol-5-yl]benzoic acid Traditional Name: 3-[3-keto-2-(o-tolyl)-1H-1,2,4-triazol-5-yl]benzoic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)N=C(N2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)N=C(N2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3/c1-10-5-2-3-8-13(10)19-16(22)17-14(18-19)11-6-4-7-12(9-11)15(20)21/h2-9H,1H3,(H,20,21)(H,17,18,22)