(E)-1-bromanyl-4-methyl-2-[(4-nitrophenyl)-oxidanyl-methyl]pent-1-en-3-one

Systemtic Name: (E)-1-bromanyl-4-methyl-2-[(4-nitrophenyl)-oxidanyl-methyl]pent-1-en-3-one Openeye Name: (E)-1-bromo-2-[hydroxy-(4-nitrophenyl)methyl]-4-methyl-pent-1-en-3-one CAS Name: (E)-1-bromo-2-[hydroxy-(4-nitrophenyl)methyl]-4-methyl-1-penten-3-one IUPAC Name: (E)-1-bromo-2-[hydroxy-(4-nitrophenyl)methyl]-4-methylpent-1-en-3-one Traditional Name: (E)-1-bromo-2-[hydroxy-(4-nitrophenyl)methyl]-4-methyl-pent-1-en-3-one Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO4/c1-8(2)12(16)11(7-14)13(17)9-3-5-10(6-4-9)15(18)19/h3-8,13,17H,1-2H3/b11-7-