2-[[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]terephthalic acid Formula: C19H12ClFN2O6 MolecularWeight: 418.759783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClFN2O6/c1-8-14(16(23-29-8)15-11(20)3-2-4-12(15)21)17(24)22-13-7-9(18(25)26)5-6-10(13)19(27)28/h2-7H,1H3,(H,22,24)(H,25,26)(H,27,28)