Compound Identification
SMILES
COC(=O)C1=C(O)C=CC=C1OCCCC(=O)NC1=CC=CC(=C1)C1=CC(=NO1)C(O)=O
InChIKey
InChIKey=LBHPOYHLFJDNGZ-UHFFFAOYSA-N
Formula
C22H20N2O8
Mass
440.408
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
-
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 Anilides Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty amides Vinylogous acids Methyl esters Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Anilide - Phenoxy compound - Phenol ether - Benzoyl - N-arylamide - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty amide - Fatty acyl - Azole - Heteroaromatic compound - Methyl ester - Isoxazole - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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