Compound Identification
SMILES
CCC(=O)OC1=CC=CC(=C1)C(=O)NC1=NC=C(S1)[N+]([O-])=O
InChIKey
InChIKey=IOJWOZLVUZTYSS-UHFFFAOYSA-N
Formula
C13H11N3O5S
Mass
321.31
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
Benzamides Phenoxy compounds Benzoyl derivatives Nitrothiazoles Nitroaromatic compounds 2,5-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ester - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Nitrothiazole - 2,5-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Aromatic heteromonocyclic 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