tert-butyl 5-chloranyl-6-(trifluoromethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-6-(trifluoromethyl)indole-1-carboxylate Openeye Name: tert-butyl 5-chloro-6-(trifluoromethyl)indole-1-carboxylate CAS Name: 5-chloro-6-(trifluoromethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-6-(trifluoromethyl)indole-1-carboxylate Traditional Name: 5-chloro-6-(trifluoromethyl)indole-1-carboxylic acid tert-butyl ester Formula: C14H13ClF3NO2 MolecularWeight: 319.70673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=CC(=C(C=C21)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=CC(=C(C=C21)C(F)(F)F)Cl

InChI

InChI=1S/C14H13ClF3NO2/c1-13(2,3)21-12(20)19-5-4-8-6-10(15)9(7-11(8)19)14(16,17)18/h4-7H,1-3H3