2-bromanyl-3-methyl-1-[2,3,4,5-tetramethyl-6-(nitromethyl)phenyl]butan-1-one

Systemtic Name: 2-bromanyl-3-methyl-1-[2,3,4,5-tetramethyl-6-(nitromethyl)phenyl]butan-1-one Openeye Name: 2-bromo-3-methyl-1-[2,3,4,5-tetramethyl-6-(nitromethyl)phenyl]butan-1-one CAS Name: 2-bromo-3-methyl-1-[2,3,4,5-tetramethyl-6-(nitromethyl)phenyl]-1-butanone IUPAC Name: 2-bromo-3-methyl-1-[2,3,4,5-tetramethyl-6-(nitromethyl)phenyl]butan-1-one Traditional Name: 2-bromo-3-methyl-1-[2,3,4,5-tetramethyl-6-(nitromethyl)phenyl]butan-1-one Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C[N+](=O)[O-])C(=O)C(C(C)C)Br)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C[N+](=O)[O-])C(=O)C(C(C)C)Br)C)C

InChI

InChI=1S/C16H22BrNO3/c1-8(2)15(17)16(19)14-12(6)10(4)9(3)11(5)13(14)7-18(20)21/h8,15H,7H2,1-6H3