Compound Identification
SMILES
COC1=C(OC)C(Cl)=C(C=CC(=O)N2CCC(CC2)C2=NC(=CS2)C2=CC=CC=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=KFHSKSFREJYLCW-UHFFFAOYSA-N
Formula
C25H24ClN3O5S
Mass
513.99
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
Dimethoxybenzenes Nitrobenzenes N-acylpiperidines Styrenes Phenoxy compounds Anisoles Nitroaromatic compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - N-acyl-piperidine - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Styrene - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Piperidine - Azole - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organooxygen compound - 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