Compound Identification
SMILES
CC1=CC=CC=[N+]1[C@H]1[C@H](C2=CC=C(Br)C=C2)C(C#N)=C(N[C@]1(O)C1CC1)C(C#N)=C=[N-]
InChIKey
InChIKey=BUIVVPFEMFIUSN-NHTMILBNSA-N
Formula
C24H20BrN5O
Mass
474.362
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Bromobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Bromobenzenes
Alternative Parents
Tetrahydropyridines Methylpyridines Pyridinium derivatives Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Alkanolamines Organooxygen compounds Organobromides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Methylpyridine - Tetrahydropyridine - Aryl bromide - Aryl halide - Hydropyridine - Pyridine - Pyridinium - Heteroaromatic compound - Alkanolamine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Cyanide - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors
Not available