Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C(=O)C(O2)=CC1=CC=NC=C1
InChIKey
InChIKey=CQARQCIWASCMAM-UHFFFAOYSA-N
Formula
C21H12FNO4
Mass
361.328
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 Benzofurans Coumarans Aryl ketones Benzoyl derivatives Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Aldehydes Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzofuran - Coumaran - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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