(2-azanyl-2-oxidanylidene-ethyl) (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (2-amino-2-oxo-ethyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (2-amino-2-keto-ethyl) ester Formula: C12H12F3N3O5 MolecularWeight: 335.23599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N3O5/c1-6(11(20)23-5-10(16)19)17-8-3-2-7(12(13,14)15)4-9(8)18(21)22/h2-4,6,17H,5H2,1H3,(H2,16,19)/t6-/m0/s1