tert-butyl 3-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]azetidine-1-carboxylate CAS Name: 3-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]azetidine-1-carboxylate Traditional Name: 3-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C16H19F3N2O5 MolecularWeight: 376.32767

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)COC2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)COC2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H19F3N2O5/c1-15(2,3)26-14(22)20-7-10(8-20)9-25-13-5-11(16(17,18)19)4-12(6-13)21(23)24/h4-6,10H,7-9H2,1-3H3