Compound Identification
SMILES
NN1CN(CNC1NC1=CC=C(C=C1)C#N)OC1=C(Cl)C=C(Cl)C=C1Cl
InChIKey
InChIKey=BPXLUEGGLWZZDA-UHFFFAOYSA-N
Formula
C16H15Cl3N6O
Mass
413.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
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
Phenylalkylamines Phenoxy compounds Aniline and substituted anilines O-phenylhydroxylamines Chlorobenzenes 1,3,5-triazinanes Aryl chlorides Orthocarboxylic acid derivatives Ortho amides Alkylhydrazines Azacyclic compounds Nitriles N-organohydroxylamines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - O-phenylhydroxylamine - Benzonitrile - Aniline or substituted anilines - Phenylalkylamine - Chlorobenzene - Halobenzene - 1,3,5-triazinane - Aryl chloride - Aryl halide - Triazinane - Ortho amide - Orthocarboxylic acid derivative - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Alkylhydrazine - Carbonitrile - Nitrile - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrazine derivative - Hydrocarbon derivative - Cyanide - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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