Compound Identification
SMILES
NC1=NC(NC2=CC=C(C=C2)C#N)=NC(CC2=CC=CC=C2Cl)=N1
InChIKey
InChIKey=ZXMDGTSSUICZLH-UHFFFAOYSA-N
Formula
C17H13ClN6
Mass
336.78
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 1,3,5-triazine-2,4-diamines Chlorobenzenes Aryl chlorides 1,3,5-triazines Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - Benzonitrile - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Triazine - 1,3,5-triazine - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Secondary amine - Organoheterocyclic compound - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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