[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenepentanoate Openeye Name: [(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C15H15F3N2O6 MolecularWeight: 376.28461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15F3N2O6/c1-8(21)3-6-13(22)26-9(2)14(23)19-12-5-4-10(20(24)25)7-11(12)15(16,17)18/h4-5,7,9H,3,6H2,1-2H3,(H,19,23)/t9-/m1/s1