[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate

Systemtic Name: [(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate Openeye Name: [(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C19H17F3N2O5 MolecularWeight: 410.34389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)CCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C19H17F3N2O5/c1-12(29-17(25)10-7-13-5-3-2-4-6-13)18(26)23-16-9-8-14(24(27)28)11-15(16)19(20,21)22/h2-6,8-9,11-12H,7,10H2,1H3,(H,23,26)/t12-/m1/s1