Compound Identification
SMILES
OC1=C(C=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OCC(=O)NC1=C(F)C=C(Br)C=C1
InChIKey
InChIKey=MFISMJGRVSCYCL-UHFFFAOYSA-N
Formula
C21H15BrFN3O8S
Mass
568.33
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
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Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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Subclass
Benzoic 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
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Sulfanilides Benzenesulfonamides Salicylic acid and derivatives Anilides Benzenesulfonyl compounds Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Organosulfonamides Vinylogous acids Aminosulfonyl compounds Carboxylic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Organofluorides Organic oxides Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Organosulfonic acid amide - Aryl halide - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Vinylogous acid - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organic oxygen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available