4-oxidanylidene-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic acid Openeye Name: 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic acid CAS Name: 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic acid IUPAC Name: 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic acid Formula: C12H5F6NO3 MolecularWeight: 325.163419

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1C(F)(F)F)C(=O)C(=CN2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C=C2C(=C1C(F)(F)F)C(=O)C(=CN2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H5F6NO3/c13-11(14,15)4-1-6(12(16,17)18)8-7(2-4)19-3-5(9(8)20)10(21)22/h1-3H,(H,19,20)(H,21,22)