Compound Identification
SMILES
COC1=C(OC(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C(Cl)=CC(=C1)C(=S)N1CCOCC1
InChIKey
InChIKey=BKBYPJXKHFQKDR-UHFFFAOYSA-N
Formula
C19H16Cl2N2O6S
Mass
471.31
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
Nitrobenzoic acids and derivatives 4-halobenzoic acids and derivatives Phenol esters Benzoic acid esters Nitrobenzenes Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Morpholines Thioamides Carboxylic acid esters Organic oxoazanium compounds Dialkyl ethers Thiocarboxylic acid amides Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Thiocarbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Depside backbone - Nitrobenzoate - Phenol ester - 4-halobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Morpholine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Oxazinane - Thioamide - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Thiocarboxylic acid amide - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Thiocarbonyl group - Organosulfur compound - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organic cation - 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