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

Systemtic Name: 2-[[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[2-(2,4-dimethylphenyl)-5-methyl-4-triazolyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]terephthalic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C)C

InChI

InChI=1S/C20H18N4O5/c1-10-4-7-16(11(2)8-10)24-22-12(3)17(23-24)18(25)21-15-9-13(19(26)27)5-6-14(15)20(28)29/h4-9H,1-3H3,(H,21,25)(H,26,27)(H,28,29)