2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-fluoranyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-fluoranyl-quinoline-4-carboxylic acid Openeye Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-fluoro-quinoline-4-carboxylic acid CAS Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-fluoro-4-quinolinecarboxylic acid IUPAC Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-fluoroquinoline-4-carboxylic acid Traditional Name: 2-[3-(4-chlorophenyl)anthranil-5-yl]-6-fluoro-cinchoninic acid Formula: C23H12ClFN2O3 MolecularWeight: 418.804383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=C(C=C5)F)C(=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=C(C=C5)F)C(=C4)C(=O)O)Cl

InChI

InChI=1S/C23H12ClFN2O3/c24-14-4-1-12(2-5-14)22-18-9-13(3-7-20(18)27-30-22)21-11-17(23(28)29)16-10-15(25)6-8-19(16)26-21/h1-11H,(H,28,29)