1-[[5-(2-chloranylpyridin-4-yl)pyridin-2-yl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[5-(2-chloranylpyridin-4-yl)pyridin-2-yl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[5-(2-chloro-4-pyridyl)-2-pyridyl]methyl]-8-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[5-(2-chloro-4-pyridinyl)-2-pyridinyl]methyl]-8-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[5-(2-chloropyridin-4-yl)pyridin-2-yl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[[5-(2-chloro-4-pyridyl)-2-pyridyl]methyl]-8-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H13ClFN3O3 MolecularWeight: 409.797623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=NC=C(C=C3)C4=CC(=NC=C4)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=NC=C(C=C3)C4=CC(=NC=C4)Cl

InChI

InChI=1S/C21H13ClFN3O3/c22-18-8-12(6-7-24-18)13-4-5-14(25-9-13)10-26-11-16(21(28)29)20(27)15-2-1-3-17(23)19(15)26/h1-9,11H,10H2,(H,28,29)