Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CC=C1)S(=O)(=O)OC1=CC=C(C=C1)C(=O)NNC(=O)C1=CN=CC=C1
InChIKey
InChIKey=HBLJCVKLEFTFLV-UHFFFAOYSA-N
Formula
C19H14N4O7S
Mass
442.4
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 Benzenesulfonate esters
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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
Benzenesulfonate esters
Alternative Parents
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzoic acids and derivatives Nicotinamides Nitrobenzenes Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Organosulfonic acid esters Sulfonyls Heteroaromatic compounds Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Nicotinamide - Nitrobenzene - Pyridine carboxylic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Pyridine - Organosulfonic acid ester - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available