5-azanyl-6,7,8-tris(fluoranyl)-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-6,7,8-tris(fluoranyl)-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-6,7,8-trifluoro-1-(oxetan-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-6,7,8-trifluoro-1-(3-oxetanyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-6,7,8-trifluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-6,7,8-trifluoro-4-keto-1-(oxetan-3-yl)quinoline-3-carboxylic acid Formula: C13H9F3N2O4 MolecularWeight: 314.21677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CO1)N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)F)F)C(=O)O

Isomeric SMILES

C1C(CO1)N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)F)F)C(=O)O

InChI

InChI=1S/C13H9F3N2O4/c14-7-8(15)10(17)6-11(9(7)16)18(4-2-22-3-4)1-5(12(6)19)13(20)21/h1,4H,2-3,17H2,(H,20,21)