[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: [2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-keto-2-[[(1R)-1-methylbutyl]amino]ethyl] ester Formula: C16H20F3N3O5 MolecularWeight: 391.34231

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC[C@@H](C)NC(=O)COC(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H20F3N3O5/c1-3-4-10(2)21-14(23)9-27-15(24)8-20-12-6-5-11(16(17,18)19)7-13(12)22(25)26/h5-7,10,20H,3-4,8-9H2,1-2H3,(H,21,23)/t10-/m1/s1