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

Systemtic Name: 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]terephthalic acid Formula: C19H13ClN2O6 MolecularWeight: 400.76932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H13ClN2O6/c1-9-15(16(22-28-9)11-4-2-3-5-13(11)20)17(23)21-14-8-10(18(24)25)6-7-12(14)19(26)27/h2-8H,1H3,(H,21,23)(H,24,25)(H,26,27)