Compound Identification
SMILES
CC1=CC(Br)=C(NC2=CC(NC3=CC=C(C=C3)C#N)=NC=C2[N+]([O-])=O)C(Br)=C1
InChIKey
InChIKey=YTPMKUIAIPFZSL-UHFFFAOYSA-N
Formula
C19H13Br2N5O2
Mass
503.154
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
2-bromoanilines Aminotoluenes Nitroaromatic compounds Aminopyridines and derivatives Bromobenzenes Primary aromatic amines Aryl bromides Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - 2-bromoaniline - Aniline or substituted anilines - Aminotoluene - Nitroaromatic compound - Bromobenzene - Halobenzene - Toluene - Aminopyridine - Aryl halide - Aryl bromide - Imidolactam - Primary aromatic amine - Pyridine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Cyanide - Organic oxygen compound - Organic oxide - Organobromide - Organonitrogen compound - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - 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