Compound Identification
SMILES
CC1=CC(C(=O)C(=CC2=CC(=C(SC3=CC=C(C)C=C3)C=C2)[N+]([O-])=O)C#N)=C(C)N1CC=C
InChIKey
InChIKey=CNRBBQFYHKVAIY-UHFFFAOYSA-N
Formula
C26H23N3O3S
Mass
457.55
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 Aryl ketones Nitroaromatic compounds Toluenes Alpha-branched alpha,beta-unsaturated ketones Substituted pyrroles Acryloyl compounds Vinylogous amides Enones Heteroaromatic compounds Nitriles Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Diarylthioether - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Aryl ketone - Toluene - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Heteroaromatic compound - Pyrrole - Vinylogous amide - Alpha,beta-unsaturated ketone - Organic nitro compound - C-nitro compound - Ketone - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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