Chem
J-GLOBAL ID:200907018217184025   Nikkaji number:J1.394.351F

2-[(6aα)-2-Phenyloctahydro-2-aza-3a-azoniapentalene-3-ylidene]malonic acid dimethyl ester

2-[(6aα)-2-フェニルオクタヒドロ-2-アザ-3a-アゾニアペンタレン-3-イリデン]マロン酸ジメチル
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: C17H21N[N+]O4
Molecular formula furigana: C17-H21-N2-O4
Molecular weight: 317.364
InChI: InChI=1S/C17H20N2O4/c1-22-16(20)14(17(21)23-2)15-18-10-6-9-13(18)11-19(15)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/p+1/t13-/m0/s1
InChI key: VGYHOTXLDHGXLL-ZDUSSCGKSA-O
SMILES: COC(=O)C(=C1N(C[C@@H]2CCC[N+]12)c1ccccc1)C(=O)OC
Systematic name  (3):
  • 2-[(6aα)-2-フェニルオクタヒドロ-2-アザ-3a-アゾニアペンタレン-3-イリデン]マロン酸ジメチル
  • (7aS)-3-(1,3-ジメトキシ-1,3-ジオキソプロパン-2-イリデン)-2-フェニル-オクタヒドロピロロ[1,2-c]イミダゾール-4-イウム
  • (7aS)-3-(1,3-dimethoxy-1,3-dioxopropan-2-ylidene)-2-phenyl-octahydropyrrolo[1,2-c]imidazol-4-ium
Other name (1):
  • 2-[(6aα)-2-Phenyloctahydro-2-aza-3a-azoniapentalene-3-ylidene]malonic acid dimethyl ester
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