Compound Identification
SMILES
COC1=CC=C(C=C1)C1N(CCC2=C1C=CS2)C(=O)CN(C(C)C)C(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XNHIICXBUKYULG-UHFFFAOYSA-N
Formula
C28H29N3O5S
Mass
519.62
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
Alpha amino acids and derivatives Thienopyridines Nitrobenzenes Styrenes Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Pyridines and derivatives Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Nitrobenzene - Thienopyridine - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic nitro compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic 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