Compound Identification
SMILES
FC1=CC=CC(=C1)C(=O)OCC(=O)C1=CC=CN1
InChIKey
InChIKey=GTIMYQDHVOWYNP-UHFFFAOYSA-N
Formula
C13H10FNO3
Mass
247.225
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Benzoic acid esters
Alternative Parents
3-halobenzoic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Substituted pyrroles Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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