Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(OC(=O)CNC(=O)C1=CC=CS1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=UOCZUBHKTVTHFU-UHFFFAOYSA-N
Formula
C21H16N2O6S
Mass
424.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Benzoins
Intermediate Tree Nodes
Not available
Direct Parent
Benzoins
Alternative Parents
Alkyl-phenylketones Alpha amino acid esters N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Nitrobenzenes 2-heteroaryl carboxamides Thiophene carboxamides Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alpha-acyloxy ketones Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Phenylketone - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - 2-heteroaryl carboxamide - Aryl ketone - Aryl alkyl ketone - Benzoyl - Nitroaromatic compound - Alpha-acyloxy ketone - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Ketone - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.
External Descriptors
Not available