Chem
J-GLOBAL ID:201407099813887661   Nikkaji number:J3.234.494A

1-Cyano-8-oxo-2,2a,8,8a-tetrahydro-1H-benzo[b]cyclobuta[e]pyran-2a-carboxylic acid methyl ester

1-シアノ-8-オキソ-2,2a,8,8a-テトラヒドロ-1H-ベンゾ[b]シクロブタ[e]ピラン-2a-カルボン酸メチル
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: C14H11NO4
Molecular formula furigana: C14-H11-N-O4
Molecular weight: 257.245
InChI: InChI=1S/C14H11NO4/c1-18-13(17)14-6-8(7-15)11(14)12(16)9-4-2-3-5-10(9)19-14/h2-5,8,11H,6H2,1H3
InChI key: HPVXJDAVEYOGLG-UHFFFAOYSA-N
SMILES: COC(=O)C12CC(C#N)C1C(=O)c1ccccc1O2
Systematic name  (3):
  • 1-シアノ-8-オキソ-2,2a,8,8a-テトラヒドロ-1H-ベンゾ[b]シクロブタ[e]ピラン-2a-カルボン酸メチル
  • メチル 5-シアノ-7-オキソ-2-オキサトリシクロ[6.4.0.03,6]ドデカ-1(12),8,10-トリエン-3-カルボキシラート
  • methyl 5-cyano-7-oxo-2-oxatricyclo[6.4.0.03,6]dodeca-1(12),8,10-triene-3-carboxylate
Other name (1):
  • 1-Cyano-8-oxo-2,2a,8,8a-tetrahydro-1H-benzo[b]cyclobuta[e]pyran-2a-carboxylic acid methyl ester
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