Compound Identification
SMILES
CC(N)=C(C#N)C(=O)COC(=O)C1=C(Cl)C=CC(=C1)S(=O)(=O)N(CC=C)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=GVHNRDCQTHQINV-UHFFFAOYSA-N
Formula
C22H19Cl2N3O5S
Mass
508.37
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
Benzenesulfonamides Sulfanilides 2-halobenzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Organosulfonamides Aminosulfonyl compounds Enones Vinylogous halides Vinylogous amides Acryloyl compounds Amino acids and derivatives Ketones Carboxylic acid esters Nitriles Enamines Monoalkylamines Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Sulfanilide - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - Organosulfonic acid amide - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha,beta-unsaturated ketone - Vinylogous halide - Vinylogous amide - Enone - Acryloyl-group - Amino acid or derivatives - Carboxylic acid ester - Ketone - Carbonitrile - Nitrile - Carboxylic acid derivative - Enamine - Organochloride - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Amine - Organic nitrogen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Primary aliphatic amine - Organohalogen compound - Aromatic homomonocyclic 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