6-bromanyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[4-(trifluoromethyl)phenyl]cinchoninic acid Formula: C17H9BrF3NO2 MolecularWeight: 396.15807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H9BrF3NO2/c18-11-5-6-14-12(7-11)13(16(23)24)8-15(22-14)9-1-3-10(4-2-9)17(19,20)21/h1-8H,(H,23,24)