Compound Identification
SMILES
OCC1=NC2=CC=CC=C2N1N=CC1=CC2=C(OCO2)C=C1[N+]([O-])=O
InChIKey
InChIKey=OEVQTGRFXSTUPZ-UHFFFAOYSA-N
Formula
C16H12N4O5
Mass
340.295
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
Benzimidazoles Nitroaromatic compounds Benzenoids N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Acetals Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Aromatic alcohols Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Benzodioxole - Nitroaromatic compound - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - C-nitro compound - Organic nitro compound - Oxacycle - Acetal - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Organic zwitterion - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - 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