ethyl 7-(3-chloranyl-4-methoxy-phenyl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(3-chloranyl-4-methoxy-phenyl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(3-chloro-4-methoxy-phenyl)-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(3-chloro-4-methoxyphenyl)-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-chloro-4-methoxyphenyl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(3-chloro-4-methoxy-phenyl)-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H18ClF2NO4 MolecularWeight: 421.821726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC(=C(C=C3)OC)Cl)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC(=C(C=C3)OC)Cl)F)C(=O)OCC

InChI

InChI=1S/C21H18ClF2NO4/c1-4-25-10-13(21(27)29-5-2)20(26)12-9-15(23)17(18(24)19(12)25)11-6-7-16(28-3)14(22)8-11/h6-10H,4-5H2,1-3H3