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

Systemtic Name: (3-nitrophenyl) (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (3-nitrophenyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (3-nitrophenyl) ester Formula: C16H12F3N3O6 MolecularWeight: 399.27819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O6/c1-9(15(23)28-12-4-2-3-11(8-12)21(24)25)20-13-6-5-10(16(17,18)19)7-14(13)22(26)27/h2-9,20H,1H3/t9-/m0/s1