Compound Identification
SMILES
NC1=CC(C(=O)OCCCCO[N+]([O-])=O)=C(O)C=C1
InChIKey
InChIKey=NMXIZJLIYYDNJG-UHFFFAOYSA-N
Formula
C11H14N2O6
Mass
270.241
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
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
-
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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives Aminobenzoic acids and derivatives p-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Alkyl nitrates Amino acids and derivatives Carboxylic acid esters Organic nitric acids and derivatives Organic nitro compounds Organic oxides Organic salts Organooxygen compounds Hydrocarbon derivatives Primary amines Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Aminobenzoic acid or derivatives - Salicylic acid or derivatives - P-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic nitrate - Alkyl nitrate - Vinylogous acid - Amino acid or derivatives - Carboxylic acid ester - Organic nitric acid or derivatives - Organic nitro compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic salt - 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