4-(4-Chloro-3-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxylic acid

CAS Registry Number®

442531-35-3

CAS Name

4-(4-Chloro-3-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxylic acid

Molecular Formula

C16H8ClNO6

Molecular Mass

345.69

Cite this Page

4-(4-Chloro-3-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=442531-35-3 (retrieved 2024-10-07) (CAS RN: 442531-35-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H8ClNO6/c17-11-6-5-8(7-12(11)18(22)23)13-9-3-1-2-4-10(9)16(21)24-14(13)15(19)20/h1-7H,(H,19,20)

InChIKey

InChIKey=IMUAHFKUWHTEEB-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C=2C(C(=O)O1)=CC=CC2)C3=CC(N(=O)=O)=C(Cl)C=C3

Canonical SMILES

O=C(O)C=1OC(=O)C=2C=CC=CC2C1C=3C=CC(Cl)=C(C3)N(=O)=O

Other Names for this Substance

  • 1H-2-Benzopyran-3-carboxylic acid, 4-(4-chloro-3-nitrophenyl)-1-oxo-
  • 4-(4-Chloro-3-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxylic acid

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