Chem
J-GLOBAL ID:201807017681140492
Nikkaji number:J3.690.860B
6-Bromo-4,7-ethano-4,7-dihydro-2H-isoindole-1-carboxylic acid ethyl ester
6-ブロモ-4,7-エタノ-4,7-ジヒドロ-2H-イソインドール-1-カルボン酸エチル
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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:
C13 H14 BrNO2
Molecular formula furigana:
C13-H14-BR-N-O2
Molecular weight:
296.164
InChI:
InChI=1S/C13H14BrNO2/c1-2-17-13(16)12-11-8-4-3-7(5-10(8)14)9(11)6-15-12/h5-8,15H,2-4H2,1H3
InChI key:
YLUIVSINURCWHP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc2C3CCC(c12)C(=C3)Br
Systematic name (3):
6-ブロモ-4,7-エタノ-4,7-ジヒドロ-2H-イソインドール-1-カルボン酸エチル
エチル 9-ブロモ-4-アザトリシクロ[5.2.2.02,6 ]ウンデカ-2,5,8-トリエン-3-カルボキシラート
ethyl 9-bromo-4-azatricyclo[5.2.2.02,6 ]undeca-2,5,8-triene-3-carboxylate
Other name (1):
6-Bromo-4,7-ethano-4,7-dihydro-2H-isoindole-1-carboxylic acid ethyl ester
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