Compound Identification
SMILES
ClC1=CC(NC(=O)COC(=O)C2=CC(=C(Cl)C=C2)S(=O)(=O)N2CCCC2)=C(C=C1)C#N
InChIKey
InChIKey=OTXKTGMANSNPHQ-UHFFFAOYSA-N
Formula
C20H17Cl2N3O5S
Mass
482.33
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzenesulfonamides Anilides Benzenesulfonyl compounds Benzonitriles Benzoyl derivatives N-arylamides Chlorobenzenes Organosulfonamides Aryl chlorides Sulfonyls Pyrrolidines Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Anilide - N-arylamide - Benzonitrile - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available