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

Systemtic Name: 6-bromanyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-[4-(trifluoromethyl)phenyl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-[4-(trifluoromethyl)phenyl]vinyl]cinchoninic acid Formula: C19H11BrF3NO2 MolecularWeight: 422.19535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H11BrF3NO2/c20-13-6-8-17-15(9-13)16(18(25)26)10-14(24-17)7-3-11-1-4-12(5-2-11)19(21,22)23/h1-10H,(H,25,26)/b7-3+