Compound Identification
SMILES
Cl.COC1=CC(NC2=NC=C(C(NC3=C(C=C(O)C=C3)C(O)=O)=N2)[N+]([O-])=O)=CC(OC)=C1OC
InChIKey
InChIKey=VCLQPDIBPALDEZ-UHFFFAOYSA-N
Formula
C20H20ClN5O8
Mass
493.86
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
- Level 5 Hydroxybenzoic acid derivatives
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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
Not available
Direct Parent
Hydroxybenzoic acid derivatives
Alternative Parents
Benzoic acids Methoxyanilines p-Aminophenols Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Vinylogous amides Amino acids Carboxylic acids Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Hydrochlorides Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydroxybenzoic acid - Benzoic acid - Methoxyaniline - Benzoyl - Phenoxy compound - Aniline or substituted anilines - P-aminophenol - Methoxybenzene - Phenol ether - Anisole - Aminophenol - Nitroaromatic compound - Alkyl aryl ether - Aminopyrimidine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Imidolactam - Pyrimidine - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Amino acid - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Amine - Organic zwitterion - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
External Descriptors
Not available