Chem
J-GLOBAL ID:200907040928723803   Nikkaji number:J2.053.701I

(2S)-2-[(αS)-α-Hydroxy-4-nitrobenzyl]-2-methylbutanal

(2S)-2-[(αS)-α-ヒドロキシ-4-ニトロベンジル]-2-メチルブタナール
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: C12H15[N+]O3[O-]
Molecular formula furigana: C12-H15-N-O4
Molecular weight: 237.255
InChI: InChI=1S/C12H15NO4/c1-3-12(2,8-14)11(15)9-4-6-10(7-5-9)13(16)17/h4-8,11,15H,3H2,1-2H3/t11-,12+/m0/s1
InChI key: XGCFDPYSRQQNAB-NWDGAFQWSA-N
SMILES: CC[C@](C)(C=O)[C@@H](O)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (4):
  • (2S)-2-[(αS)-α-ヒドロキシ-4-ニトロベンジル]-2-メチルブタナール
  • (αS,βS)-α-メチル-α-エチル-β-ヒドロキシ-4-ニトロベンゼンプロパナール
  • (2S)-2-[(S)-ヒドロキシ(4-ニトロフェニル)メチル]-2-メチルブタナール
  • (2S)-2-[(S)-hydroxy(4-nitrophenyl)methyl]-2-methylbutanal
Other name (2):
  • (2S)-2-[(αS)-α-Hydroxy-4-nitrobenzyl]-2-methylbutanal
  • (αS,βS)-α-Methyl-α-ethyl-β-hydroxy-4-nitrobenzenepropanal
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