Compound Identification
SMILES
CC(=O)N1CCN(CC1)C(=O)\C=C\C1=CC(=C(SC2=C(Cl)C(Cl)=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=LNUHEJIWTOBAQF-SOFGYWHQSA-N
Formula
C21H19Cl2N3O4S
Mass
480.36
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
Diarylthioethers Nitrobenzenes Thiophenol ethers Dichlorobenzenes Styrenes Nitroaromatic compounds Aryl chlorides Piperazines Acetamides Tertiary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Diarylthioether - Nitrobenzene - 1,2-dichlorobenzene - Aryl thioether - Styrene - Thiophenol ether - Nitroaromatic compound - Halobenzene - Chlorobenzene - Aryl chloride - 1,4-diazinane - Piperazine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Sulfenyl compound - Thioether - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic cation - 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