Chem
J-GLOBAL ID:201007079478651372   Nikkaji number:J2.804.894G

2-(tert-Butoxycarbonyl)-4-(2-nitroethyl)-1H-pyrrole-3-propanoic acid allyl ester

2-(tert-ブトキシカルボニル)-4-(2-ニトロエチル)-1H-ピロール-3-プロパン酸アリル
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: C17H24N[N+]O5[O-]
Molecular formula furigana: C17-H24-N2-O6
Molecular weight: 352.387
InChI: InChI=1S/C17H24N2O6/c1-5-10-24-14(20)7-6-13-12(8-9-19(22)23)11-18-15(13)16(21)25-17(2,3)4/h5,11,18H,1,6-10H2,2-4H3
InChI key: GZBDDMZFFCPJFI-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)c1[nH]cc(CC[N+](=O)[O-])c1CCC(=O)OCC=C
Systematic name  (3):
  • 2-(tert-ブトキシカルボニル)-4-(2-ニトロエチル)-1H-ピロール-3-プロパン酸アリル
  • tert-ブチル 4-(2-ニトロエチル)-3-[3-オキソ-3-(プロパ-2-エン-1-イルオキシ)プロピル]-1H-ピロール-2-カルボキシラート
  • tert-butyl 4-(2-nitroethyl)-3-[3-oxo-3-(prop-2-en-1-yloxy)propyl]-1H-pyrrole-2-carboxylate
Other name (1):
  • 2-(tert-Butoxycarbonyl)-4-(2-nitroethyl)-1H-pyrrole-3-propanoic acid allyl ester
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