Compound Identification
SMILES
CC(C)(C)OC(=O)C1=CC=C(OO[N+]([O-])=O)C=C1
InChIKey
InChIKey=IMGPDRWCWLTUFX-UHFFFAOYSA-N
Formula
C11H13NO6
Mass
255.226
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Phenoxy compounds Benzoyl derivatives Organic peroxynitrates Organic nitrates Organic nitro compounds Organic nitric acids and derivatives Carboxylic acid esters Organooxygen compounds Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Phenoxy compound - Benzoyl - Organic peroxynitrate - Organic nitrate - Carboxylic acid ester - Organic nitric acid or derivatives - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available