1-bromanyl-3-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]butan-2-one

Systemtic Name: 1-bromanyl-3-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]butan-2-one Openeye Name: 1-bromo-3-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]butan-2-one CAS Name: 1-bromo-3-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-2-butanone IUPAC Name: 1-bromo-3-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]butan-2-one Traditional Name: 1-bromo-3-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]butan-2-one Formula: C12H11BrF3NO4 MolecularWeight: 370.11925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CBr)OC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)CBr)OC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H11BrF3NO4/c1-11(2,10(18)6-13)21-9-4-3-7(12(14,15)16)5-8(9)17(19)20/h3-5H,6H2,1-2H3