5,8-bis(fluoranyl)-4-oxidanylidene-1-[(6-pyridin-3-ylpyridin-2-yl)methyl]quinoline-3-carboxylic acid

Systemtic Name: 5,8-bis(fluoranyl)-4-oxidanylidene-1-[(6-pyridin-3-ylpyridin-2-yl)methyl]quinoline-3-carboxylic acid Openeye Name: 5,8-difluoro-4-oxo-1-[[6-(3-pyridyl)-2-pyridyl]methyl]quinoline-3-carboxylic acid CAS Name: 5,8-difluoro-4-oxo-1-[[6-(3-pyridinyl)-2-pyridinyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 5,8-difluoro-4-oxo-1-[(6-pyridin-3-ylpyridin-2-yl)methyl]quinoline-3-carboxylic acid Traditional Name: 5,8-difluoro-4-keto-1-[[6-(3-pyridyl)-2-pyridyl]methyl]quinoline-3-carboxylic acid Formula: C21H13F2N3O3 MolecularWeight: 393.343026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=NC(=C1)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C21H13F2N3O3/c22-15-6-7-16(23)19-18(15)20(27)14(21(28)29)11-26(19)10-13-4-1-5-17(25-13)12-3-2-8-24-9-12/h1-9,11H,10H2,(H,28,29)