Compound Identification
SMILES
CC1=CC=C(C=C1)C1=NN(C(=O)C=CC2=CC=CC=C2Cl)C(NCC2=CC=C(Cl)C=C2)=N1
InChIKey
InChIKey=BROKLCOJQLWJLA-UHFFFAOYSA-N
Formula
C25H20Cl2N4O
Mass
463.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Phenyl-1,2,4-triazoles Styrenes Benzylamines Toluenes Chlorobenzenes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - Benzylamine - Styrene - Chlorobenzene - Halobenzene - Toluene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available