Compound Identification
SMILES
CC1CC2OC2\C=C/C=C/C(/CC2=C(C(O)=CC(O)=C2Cl)C(=O)O1)=N\OCC1=NN=NN1C
InChIKey
InChIKey=BPMHODWOKNAUKF-PHSYIMDWSA-N
Formula
C21H22ClN5O6
Mass
475.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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
Not available
Direct Parent
Hydroxybenzoic acid derivatives
Alternative Parents
Halophenols 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Tetrazoles Heteroaromatic compounds Oxime ethers Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Epoxides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroxybenzoic acid - 4-halophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous acid - Tetrazole - Carboxylic acid ester - Oxime ether - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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