3-(5-chloranyl-2-methoxy-phenyl)-3-fluoranyl-2-oxidanylidene-6-(trifluoromethyl)indole-1-carboxylic acid

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-3-fluoranyl-2-oxidanylidene-6-(trifluoromethyl)indole-1-carboxylic acid Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)indoline-1-carboxylic acid CAS Name: 3-(5-chloro-2-methoxyphenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)-1-indolecarboxylic acid IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)indole-1-carboxylic acid Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-3-fluoro-2-keto-6-(trifluoromethyl)indoline-1-carboxylic acid Formula: C17H10ClF4NO4 MolecularWeight: 403.712213

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2(C3=C(C=C(C=C3)C(F)(F)F)N(C2=O)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2(C3=C(C=C(C=C3)C(F)(F)F)N(C2=O)C(=O)O)F

InChI

InChI=1S/C17H10ClF4NO4/c1-27-13-5-3-9(18)7-11(13)16(19)10-4-2-8(17(20,21)22)6-12(10)23(14(16)24)15(25)26/h2-7H,1H3,(H,25,26)