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
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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:
C17 H24 N[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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