tert-butyl 5-azanylidene-2-(4-fluorophenyl)-4,4-bis(trifluoromethyl)imidazole-1-carboxylate

Systemtic Name: tert-butyl 5-azanylidene-2-(4-fluorophenyl)-4,4-bis(trifluoromethyl)imidazole-1-carboxylate Openeye Name: tert-butyl 2-(4-fluorophenyl)-5-imino-4,4-bis(trifluoromethyl)imidazole-1-carboxylate CAS Name: 2-(4-fluorophenyl)-5-imino-4,4-bis(trifluoromethyl)-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-fluorophenyl)-5-imino-4,4-bis(trifluoromethyl)imidazole-1-carboxylate Traditional Name: 2-(4-fluorophenyl)-5-imino-4,4-bis(trifluoromethyl)-2-imidazoline-1-carboxylic acid tert-butyl ester Formula: C16H14F7N3O2 MolecularWeight: 413.290082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=NC(C1=N)(C(F)(F)F)C(F)(F)F)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=NC(C1=N)(C(F)(F)F)C(F)(F)F)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H14F7N3O2/c1-13(2,3)28-12(27)26-10(8-4-6-9(17)7-5-8)25-14(11(26)24,15(18,19)20)16(21,22)23/h4-7,24H,1-3H3