Chem
J-GLOBAL ID：200907090429339889   Nikkaji number：J576.537D

2-[4-[3-(4-Nitrophenyl)ureido]phenoxy]-2-methylpropionic acid

2-[4-[3-(4-ニトロフェニル)ウレイド]フェノキシ]-2-メチルプロピオン酸
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： C17H17N2[N+]O5[O-]
Molecular formula furigana： C17-H17-N3-O6
Molecular weight： 359.338
InChI： InChI=1S/C17H17N3O6/c1-17(2,15(21)22)26-14-9-5-12(6-10-14)19-16(23)18-11-3-7-13(8-4-11)20(24)25/h3-10H,1-2H3,(H,21,22)(H2,18,19,23)
InChI key： KXFLCVDKEJVSAB-UHFFFAOYSA-N
SMILES： CC(C)(Oc1ccc(NC(=O)Nc2ccc(cc2)[N+](=O)[O-])cc1)C(=O)O
Systematic name  (3)：
  • 2-[4-[3-(4-ニトロフェニル)ウレイド]フェノキシ]-2-メチルプロピオン酸
  • 2-メチル-2-(4-{[(4-ニトロフェニル)カルバモイル]アミノ}フェノキシ)プロパン酸
  • 2-methyl-2-(4-{[(4-nitrophenyl)carbamoyl]amino}phenoxy)propanoic acid
Other name (1)：
  • 2-[4-[3-(4-Nitrophenyl)ureido]phenoxy]-2-methylpropionic acid
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