2-[4-(dihydroxyboranyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(dihydroxyboranyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-(4-boronophenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-boronophenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-boronophenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-boronophenyl)cinchoninic acid Formula: C16H12BNO4 MolecularWeight: 293.08178

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)(O)O

InChI

InChI=1S/C16H12BNO4/c19-16(20)13-9-15(18-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)17(21)22/h1-9,21-22H,(H,19,20)