Compound Identification
SMILES
OC(=O)C(C(=O)C=CC1=CC=CC=C1[N+]([O-])=O)=C1SCCS1
InChIKey
InChIKey=RUDUCQCCBQGKJI-UHFFFAOYSA-N
Formula
C14H11NO5S2
Mass
337.36
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
Medium-chain keto acids and derivatives Nitrobenzenes Styrenes Nitroaromatic compounds Beta-keto acids and derivatives Heterocyclic fatty acids Vinylogous thioesters Unsaturated fatty acids Beta-hydroxy ketones 1,3-dithiolanes Acryloyl compounds Enones Ketene acetals Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Medium-chain keto acid - Nitrobenzene - Nitroaromatic compound - Styrene - Beta-keto acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Vinylogous thioester - Fatty acyl - Keto acid - Unsaturated fatty acid - Benzenoid - Acryloyl-group - Dithiolane - Enone - Alpha,beta-unsaturated ketone - 1,3-dithiolane - Organic nitro compound - Ketene acetal or derivatives - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic salt - Organic oxide - Organic oxygen 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