2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 3-pyridinecarboxylate

CAS Registry Number®

1556-70-3
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CAS Name

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 3-pyridinecarboxylate

Molecular Formula

C21H13NO8

Molecular Mass

407.33

Cite this Page

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 3-pyridinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1556-70-3 (retrieved 2024-09-05) (CAS RN: 1556-70-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H13NO8/c23-12-7-15(26)17-16(8-12)29-19(10-3-4-13(24)14(25)6-10)20(18(17)27)30-21(28)11-2-1-5-22-9-11/h1-9,23-26H

InChIKey

InChIKey=BZIXWQIWHDSDHR-UHFFFAOYSA-N

SMILES

O(C(=O)C=1C=CC=NC1)C2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4

Canonical SMILES

O=C(OC=1C(=O)C=2C(O)=CC(O)=CC2OC1C=3C=CC(O)=C(O)C3)C=4C=NC=CC4

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl ester
  • Nicotinic acid, 3-ester with 3,3′,4′,5,7-pentahydroxyflavone
  • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 3-pyridinecarboxylate
  • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate