Compound Identification
SMILES
ClC1=CC=C(N\C=C2\C(=O)NN=C2C2=CC=C(C=C2)C#N)C=C1
InChIKey
InChIKey=CMKBRCQLSPBDCR-XNTDXEJSSA-N
Formula
C17H11ClN4O
Mass
322.75
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 Chlorobenzenes Pyrazolones Aryl chlorides Vinylogous amides Nitriles Enamines Carboxylic acids and derivatives Azacyclic compounds Allylamines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrazolinone - Pyrazoline - Vinylogous amide - Carboxylic acid derivative - Enamine - Allylamine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - 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