Compound Identification
SMILES
CCCCC1=C(C(C2=CC(Br)=C(F)C=C2)C2=C(COCC2=O)N1)C(=O)OCC
InChIKey
InChIKey=WAYMMUBMHPYUOR-UHFFFAOYSA-N
Formula
C21H23BrFNO4
Mass
452.32
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrans
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Subclass
Pyranones and derivatives
- Level 5 Dihydropyranones
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Subclass
Pyranones and derivatives
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Class
Pyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrans
Subclass
Pyranones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Dihydropyranones
Alternative Parents
Bromobenzenes Dihydropyridines Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous amides Enoate esters Ketones Amino acids and derivatives Enamines Dialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organobromides Organofluorides Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bromobenzene - Dihydropyranone - Dihydropyridine - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Secondary aliphatic amine - Ether - Enamine - Azacycle - Oxacycle - Organonitrogen compound - Aldehyde - Amine - Organohalogen compound - Organobromide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyranones. These are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.
External Descriptors
Not available