Chem
J-GLOBAL ID:200907017708790303   Nikkaji number:J1.576.018D

(5α,11α)-9-Oxo-2-oxatricyclo[5.3.1.05,11]undeca-1(10)-ene-7α-carbonitrile

(1S,3R,11S)-9-オキソ-6-オキサトリシクロ[5.3.1.03,11]ウンデカ-7-エン-1-カルボニトリル
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: C11H11NO2
Molecular formula furigana: C11-H11-N-O2
Molecular weight: 189.214
InChI: InChI=1S/C11H11NO2/c12-6-11-4-7-1-2-14-9(10(7)11)3-8(13)5-11/h3,7,10H,1-2,4-5H2/t7-,10+,11+/m0/s1
InChI key: VONYWZCPCBXSNW-WHGOUJPWSA-N
SMILES: O=C1C[C@]2(C[C@@H]3CCOC(=C1)[C@H]23)C#N
Systematic name  (3):
  • (5α,11α)-9-オキソ-2-オキサトリシクロ[5.3.1.05,11]ウンデカ-1(10)-エン-7α-カルボニトリル
  • (1S,3R,11S)-9-オキソ-6-オキサトリシクロ[5.3.1.03,11]ウンデカ-7-エン-1-カルボニトリル
  • (1S,3R,11S)-9-oxo-6-oxatricyclo[5.3.1.03,11]undec-7-ene-1-carbonitrile
Other name (1):
  • (5α,11α)-9-Oxo-2-oxatricyclo[5.3.1.05,11]undeca-1(10)-ene-7α-carbonitrile
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