Compound Identification
SMILES
ClC1=NC2=CC=CC=C2C=C1C(=O)C=CC1=CC=C(OCC2CO2)C=C1
InChIKey
InChIKey=KBHTYHVSSGYQCU-UHFFFAOYSA-N
Formula
C21H16ClNO3
Mass
365.81
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
Chloroquinolines Styrenes Phenoxy compounds Phenol ethers Aryl ketones 2-halopyridines Alkyl aryl ethers Aryl chlorides Vinylogous halides Acryloyl compounds Heteroaromatic compounds Enones Oxacyclic compounds Azacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives Organonitrogen compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Haloquinoline - Chloroquinoline - Quinoline - Phenol ether - Phenoxy compound - Styrene - Aryl ketone - Alkyl aryl ether - 2-halopyridine - Pyridine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Vinylogous halide - Enone - Ketone - Oxacycle - Azacycle - Dialkyl ether - Organoheterocyclic compound - Oxirane - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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