Compound Identification
SMILES
COC(=O)C1=C(N=C2N=CNN2[C@H]1C1=CC=C(OC)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=DGRGQYKWFHISQE-SFHVURJKSA-N
Formula
C20H17ClN4O3
Mass
396.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Triazolopyrimidines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Chlorobenzenes Hydropyrimidines Aryl chlorides Triazolines Methyl esters Enoate esters Amidrazones Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Formamidines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - Triazolopyrimidine - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - 1,6-dihydropyrimidine - Hydropyrimidine - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Triazoline - Methyl ester - Carboxylic acid ester - Carboxylic acid amidrazone - Amidine - Formamidine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available