Compound Identification
SMILES
CCCNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=O)[C@@H]1O[C@H]21
InChIKey
InChIKey=VBALJBCTFQIIHN-JBLDHEPKSA-N
Formula
C12H13BrN2O4
Mass
329.15
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Isoxazolines Alpha-haloketones Secondary carboxylic acid amides Oxime ethers Vinyl bromides Oxacyclic compounds Epoxides Dialkyl ethers Bromoalkenes Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Alpha-haloketone - Isoxazoline - Carboxamide group - Oxime ether - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Bromoalkene - Oxacycle - Azacycle - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aldehyde - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available