tert-butyl 3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazole-2-carboxylate

Systemtic Name: tert-butyl 3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazole-2-carboxylate Openeye Name: tert-butyl 3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazole-2-carboxylate CAS Name: 3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazole-2-carboxylate Traditional Name: 3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazole-2-carboxylic acid tert-butyl ester Formula: C13H19F3N2O3 MolecularWeight: 308.29677

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C2CCCCC2=N1)(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(C2CCCCC2=N1)(C(F)(F)F)O

InChI

InChI=1S/C13H19F3N2O3/c1-11(2,3)21-10(19)18-12(20,13(14,15)16)8-6-4-5-7-9(8)17-18/h8,20H,4-7H2,1-3H3