Chem
J-GLOBAL ID：200907085360186542   Nikkaji number：J692.960E

NO-1886

NO-1886
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： C19H20BrN2O4P
Molecular formula furigana： C19-H20-BR-N2-O4-P
Molecular weight： 451.257
InChI： InChI=1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23)
InChI key： KPRTURMJVWXURQ-UHFFFAOYSA-N
SMILES： CCOP(=O)(Cc1ccc(cc1)C(=O)Nc1ccc(Br)cc1C#N)OCC
Systematic name  (3)：
  • [4-[[(4-ブロモ-2-シアノフェニル)アミノ]カルボニル]ベンジル]ホスホン酸ジエチル
  • ジエチル ({4-[(4-ブロモ-2-シアノフェニル)カルバモイル]フェニル}メチル)ホスホナート
  • diethyl ({4-[(4-bromo-2-cyanophenyl)carbamoyl]phenyl}methyl)phosphonate
Other name (2)：
  • NO-1886
  • [4-[[(4-Bromo-2-cyanophenyl)amino]carbonyl]benzyl]phosphonic acid diethyl ester
CAS registry number： 133208-93-2
KEGG DRUG： D03747
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