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

Systemtic Name: (4-ethanoylphenyl) (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (4-acetylphenyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (4-acetylphenyl) ester Formula: C18H15F3N2O5 MolecularWeight: 396.31731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)C(=O)C)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OC1=CC=C(C=C1)C(=O)C)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O5/c1-10(17(25)28-14-6-3-12(4-7-14)11(2)24)22-15-8-5-13(18(19,20)21)9-16(15)23(26)27/h3-10,22H,1-2H3/t10-/m0/s1