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

Systemtic Name: 8-bromanyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 8-bromo-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 8-bromo-2-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 8-bromo-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 8-bromo-2-[4-(trifluoromethyl)phenyl]cinchoninic acid Formula: C17H9BrF3NO2 MolecularWeight: 396.15807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Br)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=C1)Br)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(F)(F)F

InChI

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