Compound Identification
SMILES
CN1C(C)=C(C)[N+](C)=C1SCC(=O)CCCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=AIJIEOSBOQBBGT-UHFFFAOYSA-N
Formula
C19H24N3O5S
Mass
406.48
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
Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Alkylarylthioethers Fatty acid esters N-substituted imidazoles Heteroaromatic compounds Ketones Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ester - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Fatty acid ester - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Fatty acyl - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic cation - 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