Chem
J-GLOBAL ID:200907051408163831   Nikkaji number:J1.923.886E

2-[3-(2,4-Dimethylphenyl)ureido]-5-bromo-5-nitro-1,3,2-dioxaphosphorinane 2-oxide

2-[3-(2,4-ジメチルフェニル)ウレイド]-5-ブロモ-5-ニトロ-1,3,2-ジオキサホスホリナン2-オキシド
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: C12H15BrN2[N+]O4[O-]2[P+]
Molecular formula furigana: C12-H15-BR-N3-O6-P
Molecular weight: 408.145
InChI: InChI=1S/C12H15BrN3O6P/c1-8-3-4-10(9(2)5-8)14-11(17)15-23(20)21-6-12(13,7-22-23)16(18)19/h3-5H,6-7H2,1-2H3,(H2,14,15,17,20)
InChI key: WNYAQBQGYQMKRC-UHFFFAOYSA-N
SMILES: Cc1ccc(NC(=O)N[P+]2([O-])OCC(Br)(CO2)[N+](=O)[O-])c(C)c1
Systematic name  (3):
  • 2-[3-(2,4-ジメチルフェニル)ウレイド]-5-ブロモ-5-ニトロ-1,3,2-ジオキサホスホリナン2-オキシド
  • 5-ブロモ-2-{[(2,4-ジメチルフェニル)カルバモイル]アミノ}-5-ニトロ-1,3,2-ジオキサホスフィナン-2-イウム-2-オラート
  • 5-bromo-2-{[(2,4-dimethylphenyl)carbamoyl]amino}-5-nitro-1,3,2-dioxaphosphinan-2-ium-2-olate
Other name (1):
  • 2-[3-(2,4-Dimethylphenyl)ureido]-5-bromo-5-nitro-1,3,2-dioxaphosphorinane 2-oxide
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