Compound Identification
SMILES
CNC1=C(C=C(C=CC(=O)C2=CC=CC=C2Br)C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZXMVQXCUSNINBN-UHFFFAOYSA-N
Formula
C16H13BrN2O3
Mass
361.195
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
-
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 Aniline and substituted anilines Styrenes Aryl ketones Benzoyl derivatives Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Bromobenzenes Aryl bromides Enones Vinylogous halides Acryloyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Nitrobenzene - Styrene - Nitroaromatic compound - Aryl ketone - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Alpha,beta-unsaturated ketone - Enone - Vinylogous halide - Acryloyl-group - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxygen compound - Organic zwitterion - Amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic oxide - Organobromide - 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