ethyl (2S,3S)-3-(4-bromophenyl)-2-ethanoyl-2-fluoranyl-4-nitro-butanoate

Systemtic Name: ethyl (2S,3S)-3-(4-bromophenyl)-2-ethanoyl-2-fluoranyl-4-nitro-butanoate Openeye Name: ethyl (2S,3S)-2-acetyl-3-(4-bromophenyl)-2-fluoro-4-nitro-butanoate CAS Name: (2S,3S)-2-acetyl-3-(4-bromophenyl)-2-fluoro-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-acetyl-3-(4-bromophenyl)-2-fluoro-4-nitrobutanoate Traditional Name: (2S,3S)-2-acetyl-3-(4-bromophenyl)-2-fluoro-4-nitro-butyric acid ethyl ester Formula: C14H15BrFNO5 MolecularWeight: 376.175003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)Br)(C(=O)C)F

Isomeric SMILES

CCOC(=O)[C@]([C@H](C[N+](=O)[O-])C1=CC=C(C=C1)Br)(C(=O)C)F

InChI

InChI=1S/C14H15BrFNO5/c1-3-22-13(19)14(16,9(2)18)12(8-17(20)21)10-4-6-11(15)7-5-10/h4-7,12H,3,8H2,1-2H3/t12-,14-/m1/s1