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
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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:
C14 H11 NO4
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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