Compound Identification
SMILES
CC1=CC(C)=C(OCC(=O)NN=CC2=CC=C(OC(=O)C3=CC=CS3)C=C2)C(Br)=C1
InChIKey
InChIKey=KZTOPHQMOGEYSL-UHFFFAOYSA-N
Formula
C22H19BrN2O4S
Mass
487.37
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
m-Xylenes Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Carboxylic acid esters Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ester - Phenoxy compound - Phenol ether - Thiophene carboxylic acid or derivatives - M-xylene - Xylene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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