Compound Identification
SMILES
FC(F)(F)C(=O)C=CNC1=CC=CC=C1C(=O)OCC1=NN=C(O1)C1=CC=CC=C1
InChIKey
InChIKey=LCRRRJGZCOYZCG-UHFFFAOYSA-N
Formula
C20H14F3N3O4
Mass
417.344
Taxonomic Classification
Taxonomy Tree
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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
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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
Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Vinylogous amides 1,3,4-oxadiazoles Acryloyl compounds Alpha-haloketones Enones Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Secondary amines Allylamines Enamines Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - 1,3,4-oxadiazole - Acryloyl-group - Alpha-haloketone - Azole - Enone - Oxadiazole - Alpha,beta-unsaturated ketone - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Ketone - Carboxylic acid ester - Secondary amine - Allylamine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Enamine - Organic oxide - Alkyl halide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Aldehyde - Organofluoride - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - 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