(4-propanoylphenyl) (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: (4-propanoylphenyl) (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (4-propanoylphenyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (4-propionylphenyl) ester Formula: C19H17F3N2O5 MolecularWeight: 410.34389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N2O5/c1-3-17(25)12-4-7-14(8-5-12)29-18(26)11(2)23-15-9-6-13(19(20,21)22)10-16(15)24(27)28/h4-11,23H,3H2,1-2H3/t11-/m0/s1