Compound Identification
SMILES
COC(=O)\C=C\C1=CC(C2=NNN=N2)=C(NC(=O)NC2=CC(=C(Cl)C=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=DBWAQMRNEBTCGQ-XVNBXDOJSA-N
Formula
C19H14ClF3N6O3
Mass
466.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
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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 acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Phenyltetrazoles and derivatives Trifluoromethylbenzenes N-phenylureas Styrenes Chlorobenzenes Fatty acid esters Aryl chlorides Enoate esters Heteroaromatic compounds Methyl esters Ureas Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds Alkyl fluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid ester - Phenyltetrazole - N-phenylurea - Trifluoromethylbenzene - Styrene - Halobenzene - Chlorobenzene - Fatty acid ester - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Methyl ester - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tetrazole - Azole - Carboxylic acid ester - Urea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Alkyl halide - Organooxygen compound - Organohalogen compound - Alkyl fluoride - Organochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available