Compound Identification
SMILES
CC1C2(OC(=N)C1(C#N)C(C#N)(C#N)C(O2)C1=CC2=C(OCO2)C=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=FWZSCDFNTFUUSA-UHFFFAOYSA-N
Formula
C23H15BrN4O4
Mass
491.301
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
Ketals Bromobenzenes 1,3-dioxepanes Oxanes Aryl bromides Oxolanes Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 1,3-dioxepane - Bromobenzene - Dioxepane - Ketal - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Oxolane - Imido ester - Nitrile - Carbonitrile - Acetal - Oxacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - 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