Chem
J-GLOBAL ID:200907094893529319   Nikkaji number:J576.541B

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

2-[4-[3-(3-ニトロ-4-フルオロフェニル)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: C17H16FN2[N+]O5[O-]
Molecular formula furigana: C17-H16-F-N3-O6
Molecular weight: 377.328
InChI: InChI=1S/C17H16FN3O6/c1-17(2,15(22)23)27-12-6-3-10(4-7-12)19-16(24)20-11-5-8-13(18)14(9-11)21(25)26/h3-9H,1-2H3,(H,22,23)(H2,19,20,24)
InChI key: JBWSLWUTQCPZKY-UHFFFAOYSA-N
SMILES: CC(C)(Oc1ccc(NC(=O)Nc2ccc(F)c(c2)[N+](=O)[O-])cc1)C(=O)O
Systematic name  (3):
  • 2-[4-[3-(3-ニトロ-4-フルオロフェニル)ウレイド]フェノキシ]-2-メチルプロピオン酸
  • 2-(4-{[(4-フルオロ-3-ニトロフェニル)カルバモイル]アミノ}フェノキシ)-2-メチルプロパン酸
  • 2-(4-{[(4-fluoro-3-nitrophenyl)carbamoyl]amino}phenoxy)-2-methylpropanoic acid
Other name (1):
  • 2-[4-[3-(3-Nitro-4-fluorophenyl)ureido]phenoxy]-2-methylpropionic acid
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