Chem
J-GLOBAL ID:200907016474822021   Nikkaji number:J225.165E

N-[5-(Acetylamino)-4-(2-bromo-4,6-dinitrophenylazo)-2-methoxyphenyl]-β-alanine 2-methoxyethyl ester

N-[5-(アセチルアミノ)-4-(2-ブロモ-4,6-ジニトロフェニルアゾ)-2-メトキシフェニル]-β-アラニン2-メトキシエチル
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: C21H23BrN4[N+]2O7[O-]2
Molecular formula furigana: C21-H23-BR-N6-O9
Molecular weight: 583.352
InChI: InChI=1S/C21H23BrN6O9/c1-12(29)24-15-10-17(23-5-4-20(30)37-7-6-35-2)19(36-3)11-16(15)25-26-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11,23H,4-7H2,1-3H3,(H,24,29)
InChI key: ASPNMPVSOMVHRA-UHFFFAOYSA-N
SMILES: COCCOC(=O)CCNc1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3):
  • N-[5-(アセチルアミノ)-4-(2-ブロモ-4,6-ジニトロフェニルアゾ)-2-メトキシフェニル]-β-アラニン2-メトキシエチル
  • 2-メトキシエチル 3-({4-[2-(2-ブロモ-4,6-ジニトロフェニル)ジアゼン-1-イル]-5-アセトアミド-2-メトキシフェニル}アミノ)プロパノアート
  • 2-methoxyethyl 3-({4-[2-(2-bromo-4,6-dinitrophenyl)diazen-1-yl]-5-acetamido-2-methoxyphenyl}amino)propanoate
Other name (1):
  • N-[5-(Acetylamino)-4-(2-bromo-4,6-dinitrophenylazo)-2-methoxyphenyl]-β-alanine 2-methoxyethyl ester
CAS registry number: 6522-67-4
Regulation number (2):
  • EINECS2294115
  • TSCA(6522-67-4)
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