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

Systemtic Name: 6-bromanyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[3-(p-tolyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[3-(p-tolyl)anthranil-5-yl]cinchoninic acid Formula: C24H15BrN2O3 MolecularWeight: 459.2915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

InChI

InChI=1S/C24H15BrN2O3/c1-13-2-4-14(5-3-13)23-19-10-15(6-8-21(19)27-30-23)22-12-18(24(28)29)17-11-16(25)7-9-20(17)26-22/h2-12H,1H3,(H,28,29)