Compound Identification
SMILES
COC1=C(OC)C=C(OC(=O)CCC[N+]([O-])=O)C=C1
InChIKey
InChIKey=BQSMNCMWAOKPLO-UHFFFAOYSA-N
Formula
C12H15NO6
Mass
269.253
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Fatty acid esters C-nitro compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenol ester - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available