Compound Identification
SMILES
CCOC1=C(OC(=O)C2=CC(=C(Br)C=C2)[N+]([O-])=O)C(Cl)=CC(=C1)C#N
InChIKey
InChIKey=ONDGWJSTLDSMCD-UHFFFAOYSA-N
Formula
C16H10BrClN2O5
Mass
425.62
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 Benzoic acid esters Phenol esters Nitrobenzenes Phenoxy compounds Benzonitriles Benzoyl derivatives Nitroaromatic compounds Phenol ethers Chlorobenzenes Bromobenzenes Alkyl aryl ethers Aryl chlorides Aryl bromides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Nitriles Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Depside backbone - Nitrobenzoate - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenol ester - Benzoate ester - Nitrobenzene - Benzoic acid or derivatives - Phenol ether - Benzonitrile - Benzoyl - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Organooxygen compound - Cyanide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Organobromide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organohalogen compound - Organic cation - Aromatic homomonocyclic 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