Compound Identification
SMILES
NCC1=CC=CC(=C1)C(=O)NC(CC1=CC=CC(C(O)=O)=C1O)B(O)O
InChIKey
InChIKey=MCAPEWQEFIVHLA-UHFFFAOYSA-N
Formula
C17H19BN2O6
Mass
358.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
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Level 6
Salicylic acid and derivatives
- Level 7 Salicylic acids
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Level 6
Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
-
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 - Salicylic acid and derivatives
Direct Parent
Salicylic acids
Alternative Parents
Benzamides Benzoic acids Phenylmethylamines Benzylamines Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Vinylogous acids Secondary carboxylic acid amides Amino acids Boronic acids Organic metalloid salts Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monoalkylboranes Organic oxides Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - Benzamide - Benzoic acid - Benzoyl - Benzylamine - Phenylmethylamine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aralkylamine - Vinylogous acid - Amino acid or derivatives - Boronic acid derivative - Boronic acid - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Primary aliphatic amine - Organic nitrogen compound - Amine - Alkylborane - Organic oxide - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Monoalkylborane - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
External Descriptors
Not available