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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C(=C(C=C2C1=O)F)C3=CN=CN=C3)F

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C(=C(C=C2C1=O)F)C3=CN=CN=C3)F

InChI

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