1-tert-butyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H20F2N2O3 MolecularWeight: 386.391906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

InChI

InChI=1S/C21H20F2N2O3/c1-10-6-12(7-11(2)24-10)16-15(22)8-13-18(17(16)23)25(21(3,4)5)9-14(19(13)26)20(27)28/h6-9H,1-5H3,(H,27,28)