tert-butyl N-[4-[(2S)-2-methyl-3-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-2-oxidanyl-3-oxidanylidene-propoxy]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[(2S)-2-methyl-3-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-2-oxidanyl-3-oxidanylidene-propoxy]phenyl]carbamate Openeye Name: tert-butyl N-[4-[(2S)-2-hydroxy-2-methyl-3-[4-nitro-3-(trifluoromethyl)anilino]-3-oxo-propoxy]phenyl]carbamate CAS Name: N-[4-[(2S)-2-hydroxy-2-methyl-3-[4-nitro-3-(trifluoromethyl)anilino]-3-oxopropoxy]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(2S)-2-hydroxy-2-methyl-3-[4-nitro-3-(trifluoromethyl)anilino]-3-oxopropoxy]phenyl]carbamate Traditional Name: N-[4-[(2S)-2-hydroxy-3-keto-2-methyl-3-[4-nitro-3-(trifluoromethyl)anilino]propoxy]phenyl]carbamic acid tert-butyl ester Formula: C22H24F3N3O7 MolecularWeight: 499.43707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

C[C@](COC1=CC=C(C=C1)NC(=O)OC(C)(C)C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C22H24F3N3O7/c1-20(2,3)35-19(30)27-13-5-8-15(9-6-13)34-12-21(4,31)18(29)26-14-7-10-17(28(32)33)16(11-14)22(23,24)25/h5-11,31H,12H2,1-4H3,(H,26,29)(H,27,30)/t21-/m0/s1