Chem
J-GLOBAL ID：200907077494213128   Nikkaji number：J758.972G

3-(4-Ethyl-3-nitrophenyl)-3-(2,5-dihydroxyphenyl)isobenzofuran-1(3H)-one

3-(4-エチル-3-ニトロフェニル)-3-(2,5-ジヒドロキシフェニル)イソベンゾフラン-1(3H)-オン
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： C22H17[N+]O5[O-]
Molecular formula furigana： C22-H17-N-O6
Molecular weight： 391.379
InChI： InChI=1S/C22H17NO6/c1-2-13-7-8-14(11-19(13)23(27)28)22(18-12-15(24)9-10-20(18)25)17-6-4-3-5-16(17)21(26)29-22/h3-12,24-25H,2H2,1H3
InChI key： SMBMULJKAFXXRV-UHFFFAOYSA-N
SMILES： CCc1ccc(cc1[N+](=O)[O-])C1(OC(=O)c2ccccc12)c1cc(O)ccc1O
Systematic name  (3)：
  • 3-(4-エチル-3-ニトロフェニル)-3-(2,5-ジヒドロキシフェニル)イソベンゾフラン-1(3H)-オン
  • 3-(2,5-ジヒドロキシフェニル)-3-(4-エチル-3-ニトロフェニル)-1,3-ジヒドロ-2-ベンゾフラン-1-オン
  • 3-(2,5-dihydroxyphenyl)-3-(4-ethyl-3-nitrophenyl)-1,3-dihydro-2-benzofuran-1-one
Other name (1)：
  • 3-(4-Ethyl-3-nitrophenyl)-3-(2,5-dihydroxyphenyl)isobenzofuran-1(3H)-one
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