Compound Identification
SMILES
CN1C(NN)=NC(C2=CC3=C(OCO3)C=C2)=C(C#N)C1=O
InChIKey
InChIKey=VWIKBVBUOBDTIE-UHFFFAOYSA-N
Formula
C13H11N5O3
Mass
285.263
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 Heteroaromatic compounds Lactams Oxacyclic compounds Nitriles Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Pyrimidone - Hydropyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Nitrile - Carbonitrile - Acetal - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrazine derivative - Organic nitrogen 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