Compound Identification
SMILES
[O-][N+](=O)C1=CC(Br)=C(OC(=O)C2=CC=CC=C2)C(C=NNC(=O)C(NC(=O)C2=CC=CC=C2)=CC2=CC=CS2)=C1
InChIKey
InChIKey=NXECMCABMXJXFS-UHFFFAOYSA-N
Formula
C28H19BrN4O6S
Mass
619.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Depsides and depsidones
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Depsides and depsidones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Depsides and depsidones
Alternative Parents
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Benzoic acid esters Phenol esters Nitrobenzenes Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organobromides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Depside backbone - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Phenol ester - Benzoate ester - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - C-nitro compound - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid ester - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
External Descriptors
Not available