tert-butyl 3-(5-chloranyl-2-methoxy-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-3H-indole-1-carboxylate

Systemtic Name: tert-butyl 3-(5-chloranyl-2-methoxy-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-3H-indole-1-carboxylate Openeye Name: tert-butyl 3-(5-chloro-2-methoxy-phenyl)-2-oxo-6-(trifluoromethyl)indoline-1-carboxylate CAS Name: 3-(5-chloro-2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-3H-indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-chloro-2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-3H-indole-1-carboxylate Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-2-keto-6-(trifluoromethyl)indoline-1-carboxylic acid tert-butyl ester Formula: C21H19ClF3NO4 MolecularWeight: 441.82807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)C(F)(F)F)C(C1=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)C(F)(F)F)C(C1=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H19ClF3NO4/c1-20(2,3)30-19(28)26-15-9-11(21(23,24)25)5-7-13(15)17(18(26)27)14-10-12(22)6-8-16(14)29-4/h5-10,17H,1-4H3