Chem
J-GLOBAL ID：200907065822116706   Nikkaji number：J887.810B

3-Nitrobenzantrone

3-ニトロベンゾアントロン
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： C17H9[N+]O2[O-]
Molecular formula furigana： C17-H9-N-O3
Molecular weight： 275.263
InChI： InChI=1S/C17H9NO3/c19-17-12-5-2-1-4-10(12)11-8-9-15(18(20)21)13-6-3-7-14(17)16(11)13/h1-9H
InChI key： QAJOWHGESRCVLY-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc2c3ccccc3C(=O)c3cccc1c23
Systematic name  (3)：
  • 3-ニトロ-7H-ベンゾ[de]アントラセン-7-オン
  • 14-ニトロテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(17),2,4,6,9,11,13,15-オクタエン-8-オン
  • 14-nitrotetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
Other name (6)：
  • 3-Nitro-7H-benz[de]anthracen-7-one
  • 3-ニトロベンゾアントロン
  • 3-Nitrobenzantrone
  • 3-NBA
  • 3-Nitrobenzanthrone
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CAS registry number： 17117-34-9
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