Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OCO2)C=C1CC(=O)C1=CNC2=C1C=C(Br)C=C2
InChIKey
InChIKey=KPRHDEMUYRGXGM-UHFFFAOYSA-N
Formula
C17H11BrN2O5
Mass
403.188
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
Indoles Aryl alkyl ketones Nitroaromatic compounds Substituted pyrroles Aryl bromides Benzenoids Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Indole - Indole or derivatives - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Acetal - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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