dimethyl 2-[(1S)-2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]propanedioate Openeye Name: dimethyl 2-[(1S)-2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]propanedioate CAS Name: 2-[(1S)-2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]propanedioate Traditional Name: 2-[(1S)-2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]malonic acid dimethyl ester Formula: C14H14F3NO6 MolecularWeight: 349.25927

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H](C[N+](=O)[O-])C1=CC=CC=C1C(F)(F)F)C(=O)OC

InChI

InChI=1S/C14H14F3NO6/c1-23-12(19)11(13(20)24-2)9(7-18(21)22)8-5-3-4-6-10(8)14(15,16)17/h3-6,9,11H,7H2,1-2H3/t9-/m1/s1