4-[[1-(3,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(3,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-(3,4-dimethylphenyl)-5-methyl-4-triazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(3,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(3,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]benzoic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C19H18N4O3/c1-11-4-9-16(10-12(11)2)23-13(3)17(21-22-23)18(24)20-15-7-5-14(6-8-15)19(25)26/h4-10H,1-3H3,(H,20,24)(H,25,26)