2-[2,2,2-tris(fluoranyl)ethylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[2,2,2-tris(fluoranyl)ethylamino]quinoline-4-carboxylic acid Openeye Name: 2-(2,2,2-trifluoroethylamino)quinoline-4-carboxylic acid CAS Name: 2-(2,2,2-trifluoroethylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,2,2-trifluoroethylamino)quinoline-4-carboxylic acid Traditional Name: 2-(2,2,2-trifluoroethylamino)cinchoninic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NCC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NCC(F)(F)F)C(=O)O

InChI

InChI=1S/C12H9F3N2O2/c13-12(14,15)6-16-10-5-8(11(18)19)7-3-1-2-4-9(7)17-10/h1-5H,6H2,(H,16,17)(H,18,19)