Chem
J-GLOBAL ID：200907040847203783
Nikkaji number：J1.140.088D
2-Amino-3-cyano-4β,5α-bis(1,3-benzodioxole-5-yl)-1-cyclopentene-1,3α-dicarboxylic acid diethyl ester
2-アミノ-3-シアノ-4β,5α-ビス(1,3-ベンゾジオキソール-5-イル)-1-シクロペンテン-1,3α-ジカルボン酸ジエチル
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
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
Molecular formula： C26H24N2O8
Molecular formula furigana： C26-H24-N2-O8
Molecular weight： 492.484
InChI：
InChI=1S/C26H24N2O8/c1-3-31-24(29)21-20(14-5-7-16-18(9-14)35-12-33-16)22(15-6-8-17-19(10-15)36-13-34-17)26(11-27,23(21)28)25(30)32-4-2/h5-10,20,22H,3-4,12-13,28H2,1-2H3/t20-,22+,26-/m1/s1
InChI key：
YCSUXSJFNMEREM-LIXHSBQKSA-N
SMILES：
CCOC(=O)C1=C(N)[C@@](C#N)([C@H]([C@@H]1c1ccc2OCOc2c1)c1ccc2OCOc2c1)C(=O)OCC
Systematic name (4)：
- (1R)-1-シアノ-2-アミノ-4β,5α-ビス(1,3-ベンゾジオキソール-5-イル)-2-シクロペンテン-1β,3-ジカルボン酸ジエチル
- 2-アミノ-3-シアノ-4β,5α-ビス(1,3-ベンゾジオキソール-5-イル)-1-シクロペンテン-1,3α-ジカルボン酸ジエチル
- 1,3-ジエチル (3R,4R,5R)-2-アミノ-4,5-ビス(2H-1,3-ベンゾジオキソール-5-イル)-3-シアノシクロペンタ-1-エン-1,3-ジカルボキシラート
- 1,3-diethyl (3R,4R,5R)-2-amino-4,5-bis(2H-1,3-benzodioxol-5-yl)-3-cyanocyclopent-1-ene-1,3-dicarboxylate
- (1R)-1-Cyano-2-amino-4β,5α-bis(1,3-benzodioxole-5-yl)-2-cyclopentene-1β,3-dicarboxylic acid diethyl ester
- 2-Amino-3-cyano-4β,5α-bis(1,3-benzodioxole-5-yl)-1-cyclopentene-1,3α-dicarboxylic acid diethyl ester
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