[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxypropanoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxypropanoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] (2R)-2-phenoxypropanoate CAS Name: (2R)-2-phenoxypropanoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate Traditional Name: (2R)-2-phenoxypropionic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C18H15F3N2O6 MolecularWeight: 412.31671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC2=CC=CC=C2

InChI

InChI=1S/C18H15F3N2O6/c1-11(29-13-5-3-2-4-6-13)17(25)28-10-16(24)22-15-8-7-12(23(26)27)9-14(15)18(19,20)21/h2-9,11H,10H2,1H3,(H,22,24)/t11-/m1/s1