2-(1,3-Benzodioxol-5-yl)-4-nitrobenzoic acid

CAS Registry Number®

1261943-61-6

CAS Name

2-(1,3-Benzodioxol-5-yl)-4-nitrobenzoic acid

Molecular Formula

C14H9NO6

Molecular Mass

287.22

Cite this Page

2-(1,3-Benzodioxol-5-yl)-4-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1261943-61-6 (retrieved 2024-11-28) (CAS RN: 1261943-61-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H9NO6/c16-14(17)10-3-2-9(15(18)19)6-11(10)8-1-4-12-13(5-8)21-7-20-12/h1-6H,7H2,(H,16,17)

InChIKey

InChIKey=YDEWHVMHTGDHGI-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C=C(N(=O)=O)C=C1)C=2C=C3C(=CC2)OCO3

Canonical SMILES

O=C(O)C1=CC=C(C=C1C=2C=CC=3OCOC3C2)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-(1,3-benzodioxol-5-yl)-4-nitro-
  • 2-(1,3-Benzodioxol-5-yl)-4-nitrobenzoic acid

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