Compound Identification
SMILES
COC(=O)C1=CC(NC=C([N+]([O-])=O)S(=O)(=O)C2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=GOZFSCPJYIPGGM-UHFFFAOYSA-N
Formula
C16H14N2O6S
Mass
362.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Aminobenzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Aniline and substituted anilines Sulfones Methyl esters C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enamines Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Benzenesulfonyl group - Benzoyl - Aniline or substituted anilines - Sulfone - Sulfonyl - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Enamine - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen 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