Compound Identification
SMILES
CNC1=NC(NN=CC2=CC=C(C=C2)C(=O)OC)=NC(NC2=CC=CC(=C2)C(F)(F)F)=N1
InChIKey
InChIKey=WVUUVGZUSSRNAS-UHFFFAOYSA-N
Formula
C20H18F3N7O2
Mass
445.406
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Trifluoromethylbenzenes 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Benzoyl derivatives N-aliphatic s-triazines 1,3,5-triazines Methyl esters Heteroaromatic compounds Azacyclic compounds Hydrazones Organooxygen compounds Organic oxides Amines Alkyl fluorides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzoate ester - 2,4-diamine-s-triazine - Benzoyl - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - 1,3,5-triazine - Triazine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrazone - Organoheterocyclic compound - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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