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

Systemtic Name: 6-bromanyl-2-(3-phenyl-2,1-benzoxazol-5-yl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(3-phenyl-2,1-benzoxazol-5-yl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(3-phenyl-2,1-benzoxazol-5-yl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(3-phenyl-2,1-benzoxazol-5-yl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(3-phenylanthranil-5-yl)cinchoninic acid Formula: C23H13BrN2O3 MolecularWeight: 445.26492

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C23H13BrN2O3/c24-15-7-9-19-16(11-15)17(23(27)28)12-21(25-19)14-6-8-20-18(10-14)22(29-26-20)13-4-2-1-3-5-13/h1-12H,(H,27,28)