Compound Identification
SMILES
COC1=CC(\C=C(/C(O)C2=CC=C(Cl)C=C2)N2C=NC=N2)=CC(OC)=C1OC
InChIKey
InChIKey=IICQWIBXGNBBRD-LZYBPNLTSA-N
Formula
C20H20ClN3O4
Mass
401.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Cinnamyl alcohols Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Triazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Cinnamyl alcohol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Azole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Ether - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available