Compound Identification
SMILES
CN1C(NN=CC2=CC=C(OC(=O)C3=CC=CC=C3Br)C=C2)=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=BXQDOXWHHIAQJX-UHFFFAOYSA-N
Formula
C22H19BrN6O4
Mass
511.336
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
Xanthines 2-halobenzoic acids and derivatives 6-oxopurines Benzoic acid esters Phenol esters Alkaloids and derivatives Benzoyl derivatives Phenoxy compounds Bromobenzenes Pyrimidones N-substituted imidazoles Aryl bromides Heteroaromatic compounds Vinylogous halides Vinylogous amides Lactams Carboxylic acid esters Ureas Hydrazones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Depside backbone - Xanthine - 6-oxopurine - Phenol ester - Purinone - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Alkaloid or derivatives - Purine - Imidazopyrimidine - Benzoyl - Phenoxy compound - Pyrimidone - Halobenzene - Bromobenzene - Pyrimidine - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Imidazole - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Azole - Urea - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrazone - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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