Chem
J-GLOBAL ID:200907016611771898   Nikkaji number:J1.585.104J

α-[(E)-2-[(E)-1-(Methoxycarbonyl)-2-(3-chloro-4-fluoroanilino)vinyl]aminovinyl]pyridine-2-acetic acid ethyl ester

α-[(E)-2-[(E)-1-(メトキシカルボニル)-2-(3-クロロ-4-フルオロアニリノ)ビニル]アミノビニル]ピリジン-2-酢酸エチル
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: C21H21ClFN3O4
Molecular formula furigana: C21-H21-CL-F-N3-O4
Molecular weight: 433.860
InChI: InChI=1S/C21H21ClFN3O4/c1-3-30-20(27)15(18-6-4-5-10-24-18)9-11-25-19(21(28)29-2)13-26-14-7-8-17(23)16(22)12-14/h4-13,15,25-26H,3H2,1-2H3/b11-9+,19-13+
InChI key: IAAFEQDKEMULPK-JDCCHMEXSA-N
SMILES: CCOC(=O)C(/C=C/N/C(=C/Nc1ccc(F)c(Cl)c1)/C(=O)OC)c1ccccn1
Systematic name  (3):
  • α-[(E)-2-[(E)-1-(メトキシカルボニル)-2-(3-クロロ-4-フルオロアニリノ)ビニル]アミノビニル]ピリジン-2-酢酸エチル
  • エチル (3E)-4-{[(1E)-1-[(3-クロロ-4-フルオロフェニル)アミノ]-3-メトキシ-3-オキソプロパ-1-エン-2-イル]アミノ}-2-(ピリジン-2-イル)ブタ-3-エノアート
  • ethyl (3E)-4-{[(1E)-1-[(3-chloro-4-fluorophenyl)amino]-3-methoxy-3-oxoprop-1-en-2-yl]amino}-2-(pyridin-2-yl)but-3-enoate
Other name (1):
  • α-[(E)-2-[(E)-1-(Methoxycarbonyl)-2-(3-chloro-4-fluoroanilino)vinyl]aminovinyl]pyridine-2-acetic acid ethyl ester
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