Compound Identification
SMILES
OC(=O)C1=CC(=O)C2=CC(Br)=CC(NC(=O)C3=CC=C(C=C3)C#N)=C2O1
InChIKey
InChIKey=BFEJXEIMQKFBFT-UHFFFAOYSA-N
Formula
C18H9BrN2O5
Mass
413.183
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 Chromones
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Subclass
1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Chromones
Alternative Parents
Benzamides Benzoyl derivatives Benzonitriles Pyranones and derivatives Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Nitriles Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromone - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Pyranone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Organobromide - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors
Not available