Compound Identification
SMILES
COC(=O)C1=CC(C2CCOC2)=C(C=C1N)C(F)(F)F
InChIKey
InChIKey=LKVTYADPAINJDJ-UHFFFAOYSA-N
Formula
C13H14F3NO3
Mass
289.254
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 Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Primary aromatic amines Vinylogous amides Oxolanes Methyl esters Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Trifluoromethylbenzene - Benzoyl - Aniline or substituted anilines - Primary aromatic amine - Oxolane - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary 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