Compound Identification
SMILES
COC(=O)\C=C\C1=CC(CCO[N+]([O-])=O)=CC2=C1CCC(C2)NS(=O)(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=VFYHDPNIXWLBEY-XNWCZRBMSA-N
Formula
C22H23ClN2O7S
Mass
494.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
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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 esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Tetralins Benzenesulfonamides Benzenesulfonyl compounds Styrenes Chlorobenzenes Fatty acid esters Organosulfonamides Aryl chlorides Alkyl nitrates Aminosulfonyl compounds Methyl esters Enoate esters Organic nitro compounds Organic nitric acids and derivatives Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid ester - Benzenesulfonamide - Tetralin - Benzenesulfonyl group - Styrene - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Aminosulfonyl compound - Alkyl nitrate - Sulfonyl - Organic nitrate - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organic nitric acid or derivatives - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organochloride - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic cation - Aromatic homopolycyclic 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