Compound Identification
SMILES
CC1(C)CC(C2=NC3=C(N2)C=C(C(O)=O)C(O)=C3)C(C)(C)N1[O]
InChIKey
InChIKey=ZKGOZEUFIIIYRJ-UHFFFAOYSA-N
Formula
C16H20N3O4
Mass
318.353
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
Hydroxybenzoic acid derivatives
- Level 6 Salicylic acid and derivatives
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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
Hydroxybenzoic acid derivatives
Direct Parent
Salicylic acid and derivatives
Alternative Parents
Benzimidazoles 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Pyrrolidines Imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Salicylic acid or derivatives - Benzimidazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Imidazole - Pyrrolidine - Vinylogous acid - Heteroaromatic compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as salicylic acid and derivatives. These are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof.
External Descriptors
Not available