1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyrimidin-5-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyrimidin-5-yl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-4-oxo-7-pyrimidin-5-yl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-4-oxo-7-(5-pyrimidinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-4-oxo-7-pyrimidin-5-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(5-pyrimidyl)quinoline-3-carboxylic acid Formula: C16H11F2N3O3 MolecularWeight: 331.273646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CN=CN=C3)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CN=CN=C3)F)C(=O)O

InChI

InChI=1S/C16H11F2N3O3/c1-2-21-6-10(16(23)24)15(22)9-3-11(17)12(13(18)14(9)21)8-4-19-7-20-5-8/h3-7H,2H2,1H3,(H,23,24)