Chem
J-GLOBAL ID：200907026272764610   Nikkaji number：J2.094.757H

(2E,4S)-4-(Nitrooxy)-5-(4-methoxyphenyl)-2-pentenoic acid methyl ester

(2E,4S)-4-(ニトロオキシ)-5-(4-メトキシフェニル)-2-ペンテン酸メチル
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： C13H15[N+]O5[O-]
Molecular formula furigana： C13-H15-N-O6
Molecular weight： 281.264
InChI： InChI=1S/C13H15NO6/c1-18-11-5-3-10(4-6-11)9-12(20-14(16)17)7-8-13(15)19-2/h3-8,12H,9H2,1-2H3/b8-7+/t12-/m1/s1
InChI key： XSQZGDBWQSBTNI-ABZNLYFFSA-N
SMILES： COC(=O)/C=C/[C@H](Cc1ccc(OC)cc1)O[N+](=O)[O-]
Systematic name  (3)：
  • (2E,4S)-4-(ニトロオキシ)-5-(4-メトキシフェニル)-2-ペンテン酸メチル
  • メチル (2E,4S)-5-(4-メトキシフェニル)-4-(ニトロオキシ)ペンタ-2-エノアート
  • methyl (2E,4S)-5-(4-methoxyphenyl)-4-(nitrooxy)pent-2-enoate
Other name (1)：
  • (2E,4S)-4-(Nitrooxy)-5-(4-methoxyphenyl)-2-pentenoic acid methyl ester
Thsaurus map：
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