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

Systemtic Name: [(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] butanoate Openeye Name: [(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C14H15F3N2O5 MolecularWeight: 348.27451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O5/c1-3-4-12(20)24-8(2)13(21)18-11-6-5-9(19(22)23)7-10(11)14(15,16)17/h5-8H,3-4H2,1-2H3,(H,18,21)/t8-/m1/s1