tert-butyl 5-[cyano-morpholin-4-yl-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-4-nitro-imidazole-1-carboxylate

Systemtic Name: tert-butyl 5-[cyano-morpholin-4-yl-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-4-nitro-imidazole-1-carboxylate Openeye Name: tert-butyl 5-[cyano-morpholino-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-4-nitro-imidazole-1-carboxylate CAS Name: 5-[cyano-(4-morpholinyl)-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-4-nitro-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[cyano-morpholin-4-yl-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-4-nitroimidazole-1-carboxylate Traditional Name: 5-[cyano-morpholino-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-4-nitro-imidazole-1-carboxylic acid tert-butyl ester Formula: C22H24F3N5O5 MolecularWeight: 495.45167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C(=O)OC(C)(C)C)C(C#N)(C2=CC(=CC=C2)C(F)(F)F)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C(=O)OC(C)(C)C)C(C#N)(C2=CC(=CC=C2)C(F)(F)F)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24F3N5O5/c1-14-27-18(30(32)33)17(29(14)19(31)35-20(2,3)4)21(13-26,28-8-10-34-11-9-28)15-6-5-7-16(12-15)22(23,24)25/h5-7,12H,8-11H2,1-4H3