(E,1R,2R)-1-(6-bromanylpyridin-2-yl)-2-methyl-1-oxidanyl-hex-4-en-3-one

Systemtic Name: (E,1R,2R)-1-(6-bromanylpyridin-2-yl)-2-methyl-1-oxidanyl-hex-4-en-3-one Openeye Name: (E,1R,2R)-1-(6-bromo-2-pyridyl)-1-hydroxy-2-methyl-hex-4-en-3-one CAS Name: (E,1R,2R)-1-(6-bromo-2-pyridinyl)-1-hydroxy-2-methyl-4-hexen-3-one IUPAC Name: (E,1R,2R)-1-(6-bromopyridin-2-yl)-1-hydroxy-2-methylhex-4-en-3-one Traditional Name: (E,1R,2R)-1-(6-bromo-2-pyridyl)-1-hydroxy-2-methyl-hex-4-en-3-one Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C(C)C(C1=NC(=CC=C1)Br)O

Isomeric SMILES

C/C=C/C(=O)[C@H](C)[C@H](C1=NC(=CC=C1)Br)O

InChI

InChI=1S/C12H14BrNO2/c1-3-5-10(15)8(2)12(16)9-6-4-7-11(13)14-9/h3-8,12,16H,1-2H3/b5-3+/t8-,12+/m0/s1