Chem
J-GLOBAL ID：201007087187082551   Nikkaji number：J2.801.772C

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

N-[(S)-3-[(4-ニトロフェニル)アミノ]-3-(4-メトキシフェニル)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： C24H25N2[N+]O4[O-]
Molecular formula furigana： C24-H25-N3-O5
Molecular weight： 435.480
InChI： InChI=1S/C24H25N3O5/c1-31-22-13-7-19(8-14-22)23(26-20-9-11-21(12-10-20)27(29)30)15-16-25-24(28)32-17-18-5-3-2-4-6-18/h2-14,23,26H,15-17H2,1H3,(H,25,28)/t23-/m0/s1
InChI key： HUGCJLZIZQDTKP-QHCPKHFHSA-N
SMILES： COc1ccc(cc1)[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]-3-(4-メトキシフェニル)プロピル]カルバミド酸ベンジル
  • ベンジル N-[(3S)-3-(4-メトキシフェニル)-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-methoxyphenyl)-3-[(4-nitrophenyl)amino]propyl]carbamate
Other name (1)：
  • N-[(S)-3-[(4-Nitrophenyl)amino]-3-(4-methoxyphenyl)propyl]carbamic acid benzyl ester
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