2-(1,3-Benzodioxol-5-yl)-4-nitrobenzoic acid
CAS Registry Number®
1261943-61-6
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CAS Name
2-(1,3-Benzodioxol-5-yl)-4-nitrobenzoic acidMolecular Formula
C14H9NO6Molecular Mass
287.22Cite 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 ) (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