Compound Identification
SMILES
CC(C)(C)COC(=O)C1=C(C=C(F)C=C1)B1OCCNCCO1
InChIKey
InChIKey=CBSUTKBWHFWRMJ-UHFFFAOYSA-N
Formula
C16H23BFNO4
Mass
323.17
Taxonomic Classification
Taxonomy Tree
-
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 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Boronic acid esters Carboxylic acid esters Amino acids and derivatives Organic metalloid salts Oxacyclic compounds Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organometalloid compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - Amino acid or derivatives - Boronic acid derivative - Carboxylic acid ester - Oxacycle - Azacycle - Organic metalloid salt - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available