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

Systemtic Name: sodium 1-tert-butyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: sodium 1-tert-butyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: sodium 1-tert-butyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: sodium 1-tert-butyl-7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: sodium 1-tert-butyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-keto-quinoline-3-carboxylate Formula: C21H19F2N2NaO3 MolecularWeight: 408.373736

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C21H20F2N2O3.Na/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);/q;+1/p-1