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

Systemtic Name: 6-bromanyl-2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[3-(4-chlorophenyl)anthranil-5-yl]cinchoninic acid Formula: C23H12BrClN2O3 MolecularWeight: 479.70998

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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)Br)C(=C4)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H12BrClN2O3/c24-14-4-8-19-16(10-14)17(23(28)29)11-21(26-19)13-3-7-20-18(9-13)22(30-27-20)12-1-5-15(25)6-2-12/h1-11H,(H,28,29)