ethyl (2S)-2-[(1R)-1-(4-bromophenyl)-2-nitro-ethyl]-2-fluoranyl-4,4-dimethyl-3-oxidanylidene-pentanoate

Systemtic Name: ethyl (2S)-2-[(1R)-1-(4-bromophenyl)-2-nitro-ethyl]-2-fluoranyl-4,4-dimethyl-3-oxidanylidene-pentanoate Openeye Name: ethyl (2S)-2-[(1R)-1-(4-bromophenyl)-2-nitro-ethyl]-2-fluoro-4,4-dimethyl-3-oxo-pentanoate CAS Name: (2S)-2-[(1R)-1-(4-bromophenyl)-2-nitroethyl]-2-fluoro-4,4-dimethyl-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(1R)-1-(4-bromophenyl)-2-nitroethyl]-2-fluoro-4,4-dimethyl-3-oxopentanoate Traditional Name: (2S)-2-[(1R)-1-(4-bromophenyl)-2-nitro-ethyl]-2-fluoro-3-keto-4,4-dimethyl-valeric acid ethyl ester Formula: C17H21BrFNO5 MolecularWeight: 418.254743

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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(C)(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrFNO5/c1-5-25-15(22)17(19,14(21)16(2,3)4)13(10-20(23)24)11-6-8-12(18)9-7-11/h6-9,13H,5,10H2,1-4H3/t13-,17-/m0/s1