ethyl 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-7-methoxy-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-7-methoxy-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-[(3-chloro-2-fluoro-phenyl)methyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-chloro-2-fluorophenyl)methyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-4-keto-7-methoxy-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H17ClFNO4 MolecularWeight: 389.804683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)CC3=C(C(=CC=C3)Cl)F)OC

Isomeric SMILES

CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)CC3=C(C(=CC=C3)Cl)F)OC

InChI

InChI=1S/C20H17ClFNO4/c1-3-27-20(25)14-10-23-16-9-17(26-2)12(8-13(16)19(14)24)7-11-5-4-6-15(21)18(11)22/h4-6,8-10H,3,7H2,1-2H3,(H,23,24)