(2S)-1-(4-bromophenyl)-3,3-dimethyl-2-(nitromethyl)butan-1-one

Systemtic Name: (2S)-1-(4-bromophenyl)-3,3-dimethyl-2-(nitromethyl)butan-1-one Openeye Name: (2S)-1-(4-bromophenyl)-3,3-dimethyl-2-(nitromethyl)butan-1-one CAS Name: (2S)-1-(4-bromophenyl)-3,3-dimethyl-2-(nitromethyl)-1-butanone IUPAC Name: (2S)-1-(4-bromophenyl)-3,3-dimethyl-2-(nitromethyl)butan-1-one Traditional Name: (2S)-1-(4-bromophenyl)-3,3-dimethyl-2-(nitromethyl)butan-1-one Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3/c1-13(2,3)11(8-15(17)18)12(16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3/t11-/m0/s1