Compound Identification
SMILES
CC(C)C1=CC=CC=C1SC1=C(C=C(\C=C\C(=O)N2CCN(CC2)C(=O)C2=CC=NC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=OCQSLVRRSSLDCT-CSKARUKUSA-N
Formula
C28H28N4O4S
Mass
516.62
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 Cumenes Pyridinecarboxylic acids and derivatives Phenylpropanes Nitrobenzenes Thiophenol ethers Styrenes Nitroaromatic compounds Piperazines Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic salts Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Diarylthioether - Pyridine carboxylic acid or derivatives - Phenylpropane - Nitrobenzene - Cumene - Styrene - Thiophenol ether - Aryl thioether - Nitroaromatic compound - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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