Chem
J-GLOBAL ID:200907014403547710   Nikkaji number:J644.049E

3,3-Dimethyl-6′-nitrospiro[indoline-2,2′-[2H-1]benzopyran]-1-propionic acid

3,3-ジメチル-6′-ニトロ-1-スピロ[インドリン-2,2′-2H-1-ベンゾピラン]プロピオン酸
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: C21H20N[N+]O4[O-]
Molecular formula furigana: C21-H20-N2-O5
Molecular weight: 380.400
InChI: InChI=1S/C21H20N2O5/c1-20(2)16-5-3-4-6-17(16)22(12-10-19(24)25)21(20)11-9-14-13-15(23(26)27)7-8-18(14)28-21/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)
InChI key: MHCGTEBQHSVRDP-UHFFFAOYSA-N
SMILES: CC1(C)c2ccccc2N(CCC(=O)O)C21Oc1ccc(cc1C=C2)[N+](=O)[O-]
Systematic name  (22):
  • 3-[3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′-インドリン]-1′-イル]プロピオン酸
  • 3,3-ジメチル-6′-ニトロ-1-スピロ[インドリン-2,2′-2H-1-ベンゾピラン]プロピオン酸
  • 6-ニトロ-3′,3′-ジメチルスピロ[2H-1-ベンゾピラン-2,2′-インドリン]-1′-プロパン酸
  • 3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′(3′H)-[1H]インドール]-1′-プロピオン酸
  • 3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′-[2H]インドール]-1′(3′H)-プロパン酸
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Other name (14):
  • 3,3-Dimethyl-6′-nitrospiro[indoline-2,2′-[2H-1]benzopyran]-1-propionic acid
  • 3-(3,3-Dimethyl-6′-nitrospiro[indoline-2,2′-[2H-1]benzopyran]-1-yl)propionic acid
  • 3′,3′-Dimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-indoline]-1′-propionic acid
  • 1′-(2-Carboxyethyl)-3′,3′-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-indoline]
  • 6-Nitro-3′,3′-dimethylspiro[2H-1-benzopyran-2,2′-indoline]-1′-propionic acid
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CAS registry number: 55779-26-5
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