tert-butyl (3S)-3-(4-bromophenyl)-2-ethanoyl-4-nitro-butanoate

Systemtic Name: tert-butyl (3S)-3-(4-bromophenyl)-2-ethanoyl-4-nitro-butanoate Openeye Name: tert-butyl (3S)-2-acetyl-3-(4-bromophenyl)-4-nitro-butanoate CAS Name: (3S)-2-acetyl-3-(4-bromophenyl)-4-nitrobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2-acetyl-3-(4-bromophenyl)-4-nitrobutanoate Traditional Name: (3S)-2-acetyl-3-(4-bromophenyl)-4-nitro-butyric acid tert-butyl ester Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO5/c1-10(19)14(15(20)23-16(2,3)4)13(9-18(21)22)11-5-7-12(17)8-6-11/h5-8,13-14H,9H2,1-4H3/t13-,14?/m1/s1