Compound Identification
SMILES
BrC1=CN=CC(=C1)C(=O)N\N=C\C1=CC(Br)=CC(Br)=C1OC(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=ZOGSTZGNLMJRNN-MWRNPHMMSA-N
Formula
C21H12Br3N3O5
Mass
626.055
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
Benzodioxoles Nicotinamides Phenoxy compounds Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acid esters Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Benzodioxole - Nicotinamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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