Chem
J-GLOBAL ID：200907003530441368   Nikkaji number：J771.193J

[[(Z)-4aα-Nitro-2,3,4a,5,6,7,8,8aα-octahydro-4H-1-benzopyran]-4-ylidene]acetic acid methyl ester

メチル 2-[(4Z,4aS,8aR)-4a-ニトロ-オクタヒドロ-2H-1-ベンゾピラン-4-イリデン]アセタート
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： C12H17[N+]O4[O-]
Molecular formula furigana： C12-H17-N-O5
Molecular weight： 255.270
InChI： InChI=1S/C12H17NO5/c1-17-11(14)8-9-5-7-18-10-4-2-3-6-12(9,10)13(15)16/h8,10H,2-7H2,1H3/b9-8-/t10-,12+/m1/s1
InChI key： TVTMDLZEEJLCFG-WEZJSTAESA-N
SMILES： COC(=O)/C=C\1/CCO[C@@H]2CCCC[C@]12[N+](=O)[O-]
Systematic name  (3)：
  • [[(Z)-4aα-ニトロ-2,3,4a,5,6,7,8,8aα-オクタヒドロ-4H-1-ベンゾピラン]-4-イリデン]酢酸メチル
  • メチル 2-[(4Z,4aS,8aR)-4a-ニトロ-オクタヒドロ-2H-1-ベンゾピラン-4-イリデン]アセタート
  • methyl 2-[(4Z,4aS,8aR)-4a-nitro-octahydro-2H-1-benzopyran-4-ylidene]acetate
Other name (1)：
  • [[(Z)-4aα-Nitro-2,3,4a,5,6,7,8,8aα-octahydro-4H-1-benzopyran]-4-ylidene]acetic acid methyl ester
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