Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OCO2)C=C1C(Br)C1(Br)CCOC1=O
InChIKey
InChIKey=XEBNYVOZWCVOCT-UHFFFAOYSA-N
Formula
C12H9Br2NO6
Mass
423.013
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
Nitroaromatic compounds Benzenoids Gamma butyrolactones Oxolanes Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Carbonyl compounds Organonitrogen compounds Alkyl bromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitroaromatic compound - Gamma butyrolactone - Benzenoid - Oxolane - Carboxylic acid ester - Lactone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organohalogen compound - Alkyl halide - Organooxygen compound - Alkyl bromide - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic cation - 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