Compound Identification
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C1=CC(=C(Cl)C=C1Cl)[N+]([O-])=O
InChIKey
InChIKey=WTYBOFZATCKTQO-UHFFFAOYSA-N
Formula
C17H9Cl2NO6
Mass
394.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavones
-
Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavones
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavones
Alternative Parents
Coumarins and derivatives 1-benzopyrans Nitrobenzenes Dichlorobenzenes Nitroaromatic compounds Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Lactones Carboxylic acid esters Organic oxoazanium compounds Oxacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Nitroaromatic compound - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Pyranone - Benzenoid - Pyran - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.
External Descriptors
Not available