ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(3-chloro-4-fluoro-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(3-chloro-4-fluoroanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-4-fluoroanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(3-chloro-4-fluoro-anilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C19H13ClF4N2O2 MolecularWeight: 412.765333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC(=C(C=C3)F)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC(=C(C=C3)F)Cl)C(F)(F)F

InChI

InChI=1S/C19H13ClF4N2O2/c1-2-28-18(27)13-9-25-16-7-10(19(22,23)24)3-5-12(16)17(13)26-11-4-6-15(21)14(20)8-11/h3-9H,2H2,1H3,(H,25,26)