Compound Identification
SMILES
CC1=CC(Br)=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(Br)=C1
InChIKey
InChIKey=QNBCBNCWCALVQZ-UHFFFAOYSA-N
Formula
C18H13Br2N5
Mass
459.145
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Aniline and substituted anilines Toluenes Bromobenzenes Aminopyrimidines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Toluene - Aryl halide - Pyrimidine - Aryl bromide - Imidolactam - Heteroaromatic compound - Nitrile - Carbonitrile - Secondary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available