Chem
J-GLOBAL ID：201007044189871242   Nikkaji number：J2.801.771E

N-[(S)-3-[(4-Nitrophenyl)amino]-3-(4-bromophenyl)propyl]carbamic acid benzyl ester

N-[(S)-3-[(4-ニトロフェニル)アミノ]-3-(4-ブロモフェニル)プロピル]カルバミド酸ベンジル
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： C23H22BrN2[N+]O3[O-]
Molecular formula furigana： C23-H22-BR-N3-O4
Molecular weight： 484.350
InChI： InChI=1S/C23H22BrN3O4/c24-19-8-6-18(7-9-19)22(26-20-10-12-21(13-11-20)27(29)30)14-15-25-23(28)31-16-17-4-2-1-3-5-17/h1-13,22,26H,14-16H2,(H,25,28)/t22-/m0/s1
InChI key： HNNXJECXJRJHIZ-QFIPXVFZSA-N
SMILES： [O-][N+](=O)c1ccc(N[C@@H](CCNC(=O)OCc2ccccc2)c2ccc(Br)cc2)cc1
Systematic name  (3)：
  • N-[(S)-3-[(4-ニトロフェニル)アミノ]-3-(4-ブロモフェニル)プロピル]カルバミド酸ベンジル
  • ベンジル N-[(3S)-3-(4-ブロモフェニル)-3-[(4-ニトロフェニル)アミノ]プロピル]カルバマート
  • benzyl N-[(3S)-3-(4-bromophenyl)-3-[(4-nitrophenyl)amino]propyl]carbamate
Other name (1)：
  • N-[(S)-3-[(4-Nitrophenyl)amino]-3-(4-bromophenyl)propyl]carbamic acid benzyl ester
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