Compound Identification
SMILES
ClC1=CC(Cl)=C(C=CC(=O)NC2=CC3=C(OC(=N3)C3=CC(Br)=CN=C3)C=C2)C=C1
InChIKey
InChIKey=YSPSEQUXXTZCHH-UHFFFAOYSA-N
Formula
C21H12BrCl2N3O2
Mass
489.15
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid amides
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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 amides
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid amides
Alternative Parents
Benzoxazoles Styrenes N-arylamides Dichlorobenzenes Pyridines and derivatives Aryl bromides Aryl chlorides Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - Benzoxazole - 1,3-dichlorobenzene - Styrene - N-arylamide - Halobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Monocyclic benzene moiety - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available