Chem
J-GLOBAL ID：201007084280699160   Nikkaji number：J2.801.776F

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

N-[(S)-3-[(4-ニトロフェニル)アミノ]-4-メチルペンチル]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： C20H25N2[N+]O3[O-]
Molecular formula furigana： C20-H25-N3-O4
Molecular weight： 371.437
InChI： InChI=1S/C20H25N3O4/c1-15(2)19(22-17-8-10-18(11-9-17)23(25)26)12-13-21-20(24)27-14-16-6-4-3-5-7-16/h3-11,15,19,22H,12-14H2,1-2H3,(H,21,24)/t19-/m0/s1
InChI key： XFAFTEQTLPCJOZ-IBGZPJMESA-N
SMILES： CC(C)[C@H](CCNC(=O)OCc1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • N-[(S)-3-[(4-ニトロフェニル)アミノ]-4-メチルペンチル]カルバミド酸ベンジル
  • ベンジル N-[(3S)-4-メチル-3-[(4-ニトロフェニル)アミノ]ペンチル]カルバマート
  • benzyl N-[(3S)-4-methyl-3-[(4-nitrophenyl)amino]pentyl]carbamate
Other name (1)：
  • N-[(S)-3-[(4-Nitrophenyl)amino]-4-methylpentyl]carbamic acid benzyl ester
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