Compound Identification
SMILES
CC1=CN(C(C)=N1)C1=CC(=C(N)C(\C=C\C([O-])=O)=C1)C(F)(F)F
InChIKey
InChIKey=PKBGKLQERFVTRS-ONEGZZNKSA-M
Formula
C15H13F3N3O2
Mass
324.284
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Phenylimidazoles Trifluoromethylbenzenes Styrenes 1,2,4-trisubstituted imidazoles Aniline and substituted anilines Imidazolyl carboxylic acids and derivatives N-substituted imidazoles Heteroaromatic compounds Amino acids Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - 1-phenylimidazole - Trifluoromethylbenzene - 1,2,4-trisubstituted-imidazole - Imidazolyl carboxylic acid derivative - Styrene - Trisubstituted imidazole - Aniline or substituted anilines - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary amine - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available