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

Systemtic Name: (3-methylphenyl) (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: m-tolyl (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid m-tolyl ester Formula: C17H15F3N2O4 MolecularWeight: 368.30721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C(C)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)[C@H](C)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15F3N2O4/c1-10-4-3-5-13(8-10)26-16(23)11(2)21-14-7-6-12(17(18,19)20)9-15(14)22(24)25/h3-9,11,21H,1-2H3/t11-/m0/s1