Compound Identification
SMILES
CC1C2(OC(=N)C1(C#N)C(C#N)(C#N)C(O2)C1=CC2=C(OCO2)C=C1[N+]([O-])=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=XOEDVSRYQOGTGW-UHFFFAOYSA-N
Formula
C23H14BrN5O6
Mass
536.298
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 1,3-dioxepanes Bromobenzenes Ketals Oxanes Aryl bromides Oxolanes Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitroaromatic compound - 1,3-dioxepane - Ketal - Bromobenzene - Dioxepane - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Oxolane - Organic nitro compound - Imido ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Acetal - Carbonitrile - Nitrile - Organic oxoazanium - Organic 1,3-dipolar compound - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - 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