Chem
J-GLOBAL ID:200907018037329289   Nikkaji number:J1.793.038I

α-(2-Methyl-1-oxa-2-azonia-2-cyclopentene-3-yl)-3′-nitroacetophenone

α-(2-メチル-1-オキサ-2-アゾニア-2-シクロペンテン-3-イル)-3′-ニトロアセトフェノン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C12H13[N+]2O3[O-]
Molecular formula furigana: C12-H13-N2-O4
Molecular weight: 249.245
InChI: InChI=1S/C12H13N2O4/c1-13-10(5-6-18-13)8-12(15)9-3-2-4-11(7-9)14(16)17/h2-4,7H,5-6,8H2,1H3/q+1
InChI key: SRCADYOVVBDQOQ-UHFFFAOYSA-N
SMILES: C[N+]1=C(CC(=O)c2cccc(c2)[N+](=O)[O-])CCO1
Systematic name  (3):
  • α-(2-メチル-1-オキサ-2-アゾニア-2-シクロペンテン-3-イル)-3′-ニトロアセトフェノン
  • 2-メチル-3-[2-(3-ニトロフェニル)-2-オキソエチル]-4,5-ジヒドロ-1,2-オキサゾール-2-イウム
  • 2-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-4,5-dihydro-1,2-oxazol-2-ium
Other name (1):
  • α-(2-Methyl-1-oxa-2-azonia-2-cyclopentene-3-yl)-3′-nitroacetophenone
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