2-bromanyl-4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: 2-bromanyl-4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 2-bromo-4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 2-bromo-4-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 2-bromo-4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 2-bromo-4-(trifluoromethyl)quinoline-3-carboxylate Formula: C11H4BrF3NO2- MolecularWeight: 319.05417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=N2)Br)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=N2)Br)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H5BrF3NO2/c12-9-7(10(17)18)8(11(13,14)15)5-3-1-2-4-6(5)16-9/h1-4H,(H,17,18)/p-1