Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=CC(=NN1C1=CC=C(Cl)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=JYWBQNSXKRIDLO-UHFFFAOYSA-N
Formula
C21H14ClN3O5S
Mass
455.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
-
Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
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
p-Bromobenzenesulfonates Phenylpyrazoles Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Organosulfonic acid esters Aryl chlorides Sulfonyls Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Benzenesulfonate ester - Phenylpyrazole - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organosulfonic acid ester - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Pyrazole - Organic sulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic 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