Compound Identification
SMILES
OC(=O)C1=C(O)C=C(Cl)C(=C1)C#N
InChIKey
InChIKey=XGQLCPWGEGYXAT-UHFFFAOYSA-N
Formula
C8H4ClNO3
Mass
197.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
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Level 6
Salicylic acid and derivatives
- Level 7 Salicylic acids
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Level 6
Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Salicylic acids
Alternative Parents
4-halobenzoic acids Halobenzoic acids Benzoic acids Benzonitriles Benzoyl derivatives M-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Carboxylic acids Nitriles Hydrocarbon derivatives Organochlorides Organooxygen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - 3-chlorophenol - 3-halophenol - Benzonitrile - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Cyanide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
External Descriptors
Not available