Compound Identification
SMILES
CC(OC(=O)C1=CC=C(NS(=O)(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1)C(=O)NC1CCCCC1
InChIKey
InChIKey=CMKGPQFYXNAKSB-UHFFFAOYSA-N
Formula
C22H24ClN3O7S
Mass
509.96
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
Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Sulfanilide - Benzenesulfonamide - Benzoate ester - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Organosulfonic acid amide - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organic cation - 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