Compound Identification
SMILES
COC(=O)C1=C(F)C(=CC=C1)C(F)(F)F.NC(N)=NC(=O)C1=C(F)C(=CC=C1)C(F)(F)F
InChIKey
InChIKey=WKMHLSLHHHEOLN-UHFFFAOYSA-N
Formula
C18H13F8N3O3
Mass
471.307
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
Trifluoromethylbenzenes 2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Acylguanidines Aryl fluorides Vinylogous halides Methyl esters Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Acylguanidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Guanidine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic homomonocyclic 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