Chem
J-GLOBAL ID：200907099889273190   Nikkaji number：J294.766H

(1S,2S)-1-(4-Nitrophenyl)-2-[(phenylmethylene)amino]-1,3-propanediol

(1S,2S)-1-(4-ニトロフェニル)-2-[(フェニルメチレン)アミノ]-1,3-プロパンジオール
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： C16H16N[N+]O3[O-]
Molecular formula furigana： C16-H16-N2-O4
Molecular weight： 300.314
InChI： InChI=1S/C16H16N2O4/c19-11-15(17-10-12-4-2-1-3-5-12)16(20)13-6-8-14(9-7-13)18(21)22/h1-10,15-16,19-20H,11H2/t15-,16-/m0/s1
InChI key： AIPCTGYIYJYHIJ-HOTGVXAUSA-N
SMILES： OC[C@H](N=Cc1ccccc1)[C@@H](O)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • (1S,2S)-1-(4-ニトロフェニル)-2-[(フェニルメチレン)アミノ]-1,3-プロパンジオール
  • (1S,2S)-1-(4-ニトロフェニル)-2-[(フェニルメチリデン)アミノ]プロパン-1,3-ジオール
  • (1S,2S)-1-(4-nitrophenyl)-2-[(phenylmethylidene)amino]propane-1,3-diol
Other name (1)：
  • (1S,2S)-1-(4-Nitrophenyl)-2-[(phenylmethylene)amino]-1,3-propanediol
CAS registry number： 40830-68-0
Regulation number (1)：
  • EINECS2550974
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