methyl (3S)-4-nitro-3-[2-(trifluoromethyl)phenyl]butanoate

Systemtic Name: methyl (3S)-4-nitro-3-[2-(trifluoromethyl)phenyl]butanoate Openeye Name: methyl (3S)-4-nitro-3-[2-(trifluoromethyl)phenyl]butanoate CAS Name: (3S)-4-nitro-3-[2-(trifluoromethyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl (3S)-4-nitro-3-[2-(trifluoromethyl)phenyl]butanoate Traditional Name: (3S)-4-nitro-3-[2-(trifluoromethyl)phenyl]butyric acid methyl ester Formula: C12H12F3NO4 MolecularWeight: 291.22319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO4/c1-20-11(17)6-8(7-16(18)19)9-4-2-3-5-10(9)12(13,14)15/h2-5,8H,6-7H2,1H3/t8-/m1/s1