Chem
J-GLOBAL ID:200907049130622940   Nikkaji number:J2.046.933A

3-Amino-4-cyano-6,7,8,9-tetrahydro-5H-benzocycloheptene-1,2-dicarboxylic acid diethyl ester

3-アミノ-4-シアノ-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン-1,2-ジカルボン酸ジエチル
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: C18H22N2O4
Molecular formula furigana: C18-H22-N2-O4
Molecular weight: 330.384
InChI: InChI=1S/C18H22N2O4/c1-3-23-17(21)14-12-9-7-5-6-8-11(12)13(10-19)16(20)15(14)18(22)24-4-2/h3-9,20H2,1-2H3
InChI key: MNKZPDYMNQEXDE-UHFFFAOYSA-N
SMILES: CCOC(=O)c1c(N)c(C#N)c2CCCCCc2c1C(=O)OCC
Systematic name  (3):
  • 3-アミノ-4-シアノ-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン-1,2-ジカルボン酸ジエチル
  • 1,2-ジエチル 3-アミノ-4-シアノ-6,7,8,9-テトラヒドロ-5H-ベンゾ[7]アンヌレン-1,2-ジカルボキシラート
  • 1,2-diethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-1,2-dicarboxylate
Other name (1):
  • 3-Amino-4-cyano-6,7,8,9-tetrahydro-5H-benzocycloheptene-1,2-dicarboxylic acid diethyl ester
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