Compound Identification
SMILES
CC(C)C1=C\C(=N\OC(=O)C2=CC=C(Cl)C=C2)C(Br)C(Br)(C(C)C)C1=O
InChIKey
InChIKey=WHRFUXHVTUOOHR-HAHDFKILSA-N
Formula
C19H20Br2ClNO3
Mass
505.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Aromatic monoterpenoids
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Subclass
Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aromatic monoterpenoids
Alternative Parents
Monocyclic monoterpenoids 4-halobenzoic acids and derivatives Benzoyl derivatives Cyclohexenones Chlorobenzenes Aryl chlorides Oxime esters Alpha-haloketones Carboxylic acids and derivatives Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aromatic monoterpenoid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Monocyclic monoterpenoid - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Oximester - Cyclic ketone - Ketone - Carboxylic acid derivative - Alkyl halide - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
External Descriptors
Not available