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

Systemtic Name: [(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methylpentanoate Openeye Name: [(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic 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-methylpentanoate Traditional Name: 4-methylvaleric acid [(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C16H19F3N2O5 MolecularWeight: 376.32767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O5/c1-9(2)4-7-14(22)26-10(3)15(23)20-13-6-5-11(21(24)25)8-12(13)16(17,18)19/h5-6,8-10H,4,7H2,1-3H3,(H,20,23)/t10-/m1/s1