(2-oxidanylidene-2-piperidin-1-yl-ethyl) (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (2-keto-2-piperidino-ethyl) ester Formula: C17H20F3N3O5 MolecularWeight: 403.35301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCC1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCC1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H20F3N3O5/c1-11(16(25)28-10-15(24)22-7-3-2-4-8-22)21-13-6-5-12(17(18,19)20)9-14(13)23(26)27/h5-6,9,11,21H,2-4,7-8,10H2,1H3/t11-/m0/s1