Compound Identification
SMILES
C\C(\C=C/C1=CC2=C(OCO2)C=C1)=N/NC(=O)C1=CC(Br)=CN=C1
InChIKey
InChIKey=YNVBKOWJWYYDBW-QJBPDESMSA-N
Formula
C17H14BrN3O3
Mass
388.221
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Nicotinamides Styrenes Aryl bromides Heteroaromatic compounds Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nicotinamide - Pyridine carboxylic acid or derivatives - Styrene - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available