5-azanyl-1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H17F2N3O3 MolecularWeight: 385.364086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C20H17F2N3O3/c1-8-5-10(6-9(2)24-8)13-15(21)17(23)14-18(16(13)22)25(11-3-4-11)7-12(19(14)26)20(27)28/h5-7,11H,3-4,23H2,1-2H3,(H,27,28)