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

Systemtic Name: 2-[[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]terephthalic acid Formula: C18H13ClN4O5 MolecularWeight: 400.77262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13ClN4O5/c1-9-20-15(22-23(9)12-5-3-11(19)4-6-12)16(24)21-14-8-10(17(25)26)2-7-13(14)18(27)28/h2-8H,1H3,(H,21,24)(H,25,26)(H,27,28)