Compound Identification
SMILES
COCC1=CC(C)=NC(N\N=C\C2=CC3=C(OCO3)C=C2Br)=C1C#N
InChIKey
InChIKey=XAWOWEQBMMAWJG-IFRROFPPSA-N
Formula
C17H15BrN4O3
Mass
403.236
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
3-pyridinecarbonitriles Methylpyridines Imidolactams Benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Nitriles Hydrazones Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 3-pyridinecarbonitrile - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Acetal - Dialkyl ether - Ether - Hydrazone - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Cyanide - 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