Compound Identification
SMILES
O=C1N=CNC(C2=CC3=C(OCO3)C=C2)=C1C#N
InChIKey
InChIKey=UUYRMWMKWASSHZ-UHFFFAOYSA-N
Formula
C12H7N3O3
Mass
241.206
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
Pyrimidones Hydropyrimidines Benzenoids Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Pyrimidone - Hydropyrimidine - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Acetal - Carbonitrile - Nitrile - Azacycle - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - 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