Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C(C#N)C(=O)NC2=CC(Cl)=CC(Cl)=C2)C=C1
InChIKey
InChIKey=ICVGOSVZUNSXED-UHFFFAOYSA-N
Formula
C22H13Cl2N3O6S
Mass
518.32
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
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
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Subclass
Benzenesulfonic 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
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Nitrobenzenesulfonates
Alternative Parents
Cinnamic acid amides p-Bromobenzenesulfonates Benzenesulfonate esters Anilides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds Dichlorobenzenes N-arylamides Nitroaromatic compounds Organosulfonic acid esters Aryl chlorides Sulfonyls Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-nitrobenzenesulfonate - Cinnamic acid or derivatives - Cinnamic acid amide - P-bromobenzenesulfonate - Benzenesulfonate ester - Nitrobenzene - Anilide - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Nitroaromatic compound - N-arylamide - 1,3-dichlorobenzene - Phenoxy compound - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Cyanide - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.
External Descriptors
Not available