Compound Identification
SMILES
COC(=O)CCN1C(SC2=C1C=CC(=C2)[N+]([O-])=O)=NC(=O)\C=C\C1=CC=CC=C1
InChIKey
InChIKey=WUXRYVDAPWCHOX-KEEYUCNNSA-N
Formula
C20H17N3O5S
Mass
411.43
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
Benzothiazoles Styrenes Nitroaromatic compounds Thiazoles Heteroaromatic compounds Methyl esters Isothioureas N-acylimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Styrene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Methyl ester - Carboxylic acid ester - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organooxygen compound - Organic cation - 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