Compound Identification
SMILES
CNC1=C(C=C(C=CC(=O)C2=CC(Br)=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=AUAXPXPWLKQQFD-UHFFFAOYSA-N
Formula
C16H13BrN2O3
Mass
361.195
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Nitrobenzenes Styrenes Aniline and substituted anilines Aryl ketones Phenylalkylamines Benzoyl derivatives Nitroaromatic compounds Secondary alkylarylamines Bromobenzenes Aryl bromides Enones Acryloyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Nitrobenzene - Benzoyl - Nitroaromatic compound - Styrene - Phenylalkylamine - Aniline or substituted anilines - Aryl ketone - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Organic nitro compound - Ketone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organic oxoazanium - Organic zwitterion - Organic oxide - Amine - Organohalogen compound - Organic oxygen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available