Chem
J-GLOBAL ID:200907051780028827   Nikkaji number:J340.326B

3,3′-[Oxybis(4,1-phenylene)]bis[7-nitroquinazoline-2,4(1H,3H)-dione]

3,3′-[オキシビス(4,1-フェニレン)]ビス[7-ニトロキナゾリン-2,4(1H,3H)-ジオン]
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: C28H16N4[N+]2O7[O-]2
Molecular formula furigana: C28-H16-N6-O9
Molecular weight: 580.469
InChI: InChI=1S/C28H16N6O9/c35-25-21-11-5-17(33(39)40)13-23(21)29-27(37)31(25)15-1-7-19(8-2-15)43-20-9-3-16(4-10-20)32-26(36)22-12-6-18(34(41)42)14-24(22)30-28(32)38/h1-14H,(H,29,37)(H,30,38)
InChI key: WFQLROILGFHQQK-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc2c(c1)[nH]c(=O)n(c1ccc(Oc3ccc(cc3)n3c(=O)[nH]c4cc(ccc4c3=O)[N+](=O)[O-])cc1)c2=O
Systematic name  (3):
  • 3,3′-[オキシビス(4,1-フェニレン)]ビス[7-ニトロキナゾリン-2,4(1H,3H)-ジオン]
  • 7-ニトロ-3-{4-[4-(7-ニトロ-2,4-ジオキソ-1,2,3,4-テトラヒドロキナゾリン-3-イル)フェノキシ]フェニル}-1,2,3,4-テトラヒドロキナゾリン-2,4-ジオン
  • 7-nitro-3-{4-[4-(7-nitro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)phenoxy]phenyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
Other name (1):
  • 3,3′-[Oxybis(4,1-phenylene)]bis[7-nitroquinazoline-2,4(1H,3H)-dione]
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