methyl 2-[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]ethanoate Openeye Name: methyl 2-[4-(5-chloro-2-hydroxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetate CAS Name: 2-[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetate Traditional Name: 2-[4-(5-chloro-2-hydroxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid methyl ester Formula: C19H13ClF3NO4 MolecularWeight: 411.75903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

COC(=O)CC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C19H13ClF3NO4/c1-28-16(26)8-13-17(12-7-10(20)3-5-15(12)25)11-6-9(19(21,22)23)2-4-14(11)24-18(13)27/h2-7,25H,8H2,1H3,(H,24,27)