Compound Identification
SMILES
CC1=CC2=C(C=C1)N=C(N2)C(=CC1=CC(Cl)=CC2=C1OCOC2)C#N
InChIKey
InChIKey=MLXCUAJEKXGLOS-UHFFFAOYSA-N
Formula
C19H14ClN3O2
Mass
351.79
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodioxanes
- Subclass Benzo-1,3-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,3-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,3-dioxanes
Alternative Parents
Benzimidazoles Benzenoids Aryl chlorides Imidazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Acetals Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,3-dioxane - Benzimidazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Acetal - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring.
External Descriptors
Not available