Compound Identification
SMILES
COC1=CC=C(C=CC(=O)N2N=C(N=C2NCC2=CC=CC=C2Cl)C2=CC=CO2)C=C1
InChIKey
InChIKey=GIAMSMHQKXNZSA-UHFFFAOYSA-N
Formula
C23H19ClN4O3
Mass
434.88
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
Styrenes Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenol ether - Styrene - Benzylamine - Methoxybenzene - Anisole - Phenoxy compound - Chlorobenzene - Alkyl aryl ether - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - 1,2,4-triazole - Azole - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - 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