7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-4-oxidanylidene-1-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-4-oxidanylidene-1-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-6-fluoro-4-oxo-1-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-6-fluoro-4-keto-1-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C15H13F4N3O3 MolecularWeight: 359.275633

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(F)(F)F)F

Isomeric SMILES

C1CN(CC1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(F)(F)F)F

InChI

InChI=1S/C15H13F4N3O3/c16-10-3-8-11(4-12(10)21-2-1-7(20)5-21)22(15(17,18)19)6-9(13(8)23)14(24)25/h3-4,6-7H,1-2,5,20H2,(H,24,25)