(E)-1-chloranyl-2-[(4-nitrophenyl)-oxidanyl-methyl]hex-1-en-3-one

Systemtic Name: (E)-1-chloranyl-2-[(4-nitrophenyl)-oxidanyl-methyl]hex-1-en-3-one Openeye Name: (E)-1-chloro-2-[hydroxy-(4-nitrophenyl)methyl]hex-1-en-3-one CAS Name: (E)-1-chloro-2-[hydroxy-(4-nitrophenyl)methyl]-1-hexen-3-one IUPAC Name: (E)-1-chloro-2-[hydroxy-(4-nitrophenyl)methyl]hex-1-en-3-one Traditional Name: (E)-1-chloro-2-[hydroxy-(4-nitrophenyl)methyl]hex-1-en-3-one Formula: C13H14ClNO4 MolecularWeight: 283.70756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO4/c1-2-3-12(16)11(8-14)13(17)9-4-6-10(7-5-9)15(18)19/h4-8,13,17H,2-3H2,1H3/b11-8-