Compound Identification
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)OCC(=O)NC2=C(C=C(C)C(C)=C2)[N+]([O-])=O)=C(Cl)C=C1
InChIKey
InChIKey=LPLPAXHLUIHJHW-UHFFFAOYSA-N
Formula
C24H22ClN3O7S
Mass
531.96
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
-
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
2-halobenzoic acids and derivatives Sulfanilides Benzenesulfonamides Anilides Benzenesulfonyl compounds Nitrobenzenes Nitrotoluenes o-Xylenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Organosulfonamides Aryl chlorides Vinylogous halides Aminosulfonyl compounds Carboxylic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Sulfanilide - Benzenesulfonamide - Benzoate ester - Nitrobenzene - Anilide - Nitrotoluene - Benzenesulfonyl group - Nitroaromatic compound - N-arylamide - Benzoyl - Xylene - O-xylene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Vinylogous halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic nitrogen 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