2,8-bis(trifluoromethyl)quinoline-4-carboxylate

Systemtic Name: 2,8-bis(trifluoromethyl)quinoline-4-carboxylate Openeye Name: 2,8-bis(trifluoromethyl)quinoline-4-carboxylate CAS Name: 2,8-bis(trifluoromethyl)-4-quinolinecarboxylate IUPAC Name: 2,8-bis(trifluoromethyl)quinoline-4-carboxylate Traditional Name: 2,8-bis(trifluoromethyl)cinchoninate Formula: C12H4F6NO2- MolecularWeight: 308.156079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H5F6NO2/c13-11(14,15)7-3-1-2-5-6(10(20)21)4-8(12(16,17)18)19-9(5)7/h1-4H,(H,20,21)/p-1