5-azanyl-1-cyclopropyl-6,7-bis(fluoranyl)-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,7-bis(fluoranyl)-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,7-difluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,7-difluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,7-difluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,7-difluoro-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C14H9F5N2O3 MolecularWeight: 348.224876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H9F5N2O3/c15-8-7(14(17,18)19)11-6(10(20)9(8)16)12(22)5(13(23)24)3-21(11)4-1-2-4/h3-4H,1-2,20H2,(H,23,24)