Compound Identification
SMILES
CCOC(=O)[C@H]1[C@@H](C2=CC=C(Cl)C=C2)C1(C#N)C#N
InChIKey
InChIKey=DPDTUUKBBRQUSI-VXGBXAGGSA-N
Formula
C14H11ClN2O2
Mass
274.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
-
Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Cyclopropanecarboxylic acids and derivatives Aryl chlorides Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Chlorobenzene - Aryl chloride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available