Compound Identification
SMILES
[O-]C1=C[N+](=NO1)C1=CC=C(C=C1)C(=O)\C=C\C1=CC=C(Br)C=C1
InChIKey
InChIKey=AGWPVIKEGLAWCJ-XCVCLJGOSA-N
Formula
C17H11BrN2O3
Mass
371.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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 Styrenes Aryl ketones Benzoyl derivatives Bromobenzenes Aryl bromides 1,2,3-oxadiazoles Acryloyl compounds Heteroaromatic compounds Enones Oxacyclic compounds Azacyclic compounds Organic salts Organonitrogen compounds Organic zwitterions Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzoyl - Styrene - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Azole - Heteroaromatic compound - Enone - Oxadiazole - 1,2,3-oxadiazole - Alpha,beta-unsaturated ketone - Ketone - Azacycle - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic 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