8-fluoranyl-1-[[2-fluoranyl-4-(1H-pyrazol-4-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-1-[[2-fluoranyl-4-(1H-pyrazol-4-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-1-[2-fluoro-4-(1H-pyrazol-4-yl)benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C20H13F2N3O3 MolecularWeight: 381.332326

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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=C(C=C(C=C3)C4=CNN=C4)F

Isomeric SMILES

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=C(C=C(C=C3)C4=CNN=C4)F

InChI

InChI=1S/C20H13F2N3O3/c21-16-3-1-2-14-18(16)25(10-15(19(14)26)20(27)28)9-12-5-4-11(6-17(12)22)13-7-23-24-8-13/h1-8,10H,9H2,(H,23,24)(H,27,28)