Chem
J-GLOBAL ID：200907003039779519   Nikkaji number：J2.204.300E

3-Nitro-4-[(3-chloro-1,4-dihydro-1,4-dioxonaphthalene-2-yl)amino]benzoic acid ethyl ester

3-ニトロ-4-[(3-クロロ-1,4-ジヒドロ-1,4-ジオキソナフタレン-2-イル)アミノ]安息香酸エチル
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： C19H13ClN[N+]O5[O-]
Molecular formula furigana： C19-H13-CL-N2-O6
Molecular weight： 400.770
InChI： InChI=1S/C19H13ClN2O6/c1-2-28-19(25)10-7-8-13(14(9-10)22(26)27)21-16-15(20)17(23)11-5-3-4-6-12(11)18(16)24/h3-9,21H,2H2,1H3
InChI key： BUVRFQCWEQFXLV-UHFFFAOYSA-N
SMILES： CCOC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 3-ニトロ-4-[(3-クロロ-1,4-ジヒドロ-1,4-ジオキソナフタレン-2-イル)アミノ]安息香酸エチル
  • エチル 4-[(3-クロロ-1,4-ジオキソ-1,4-ジヒドロナフタレン-2-イル)アミノ]-3-ニトロベンゾアート
  • ethyl 4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-3-nitrobenzoate
Other name (1)：
  • 3-Nitro-4-[(3-chloro-1,4-dihydro-1,4-dioxonaphthalene-2-yl)amino]benzoic acid ethyl ester
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