Compound Identification
SMILES
COC(=O)C1=C(O)C=CC=C1OCCNC1=CC=CC(=C1)C1=CC(=NO1)C(O)=O
InChIKey
InChIKey=GDNDGFOQLUIHEF-UHFFFAOYSA-N
Formula
C20H18N2O7
Mass
398.371
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Phenylalkylamines Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Methyl esters Isoxazoles Heteroaromatic compounds Amino acids Azacyclic compounds Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Benzoyl - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Methyl ester - Isoxazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen 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