Compound Identification
SMILES
CCOC(=O)C(=CC1=C(Cl)C=C(Cl)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl)C#N
InChIKey
InChIKey=FMSKUHDFWFCJOQ-UHFFFAOYSA-N
Formula
C17H12Cl3F2N3O3
Mass
450.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
-
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
Phenylpyrazoles Dichlorobenzenes Fatty acid esters Aryl chlorides Heteroaromatic compounds Enoate esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid ester - Phenylpyrazole - 1,3-dichlorobenzene - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Alkyl fluoride - Organofluoride - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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