Compound Identification
SMILES
COC(=O)CC(C[N+]([O-])=O)C1=C(Br)C=C(C)C=C1
InChIKey
InChIKey=MHIHUVXBNLOWAJ-UHFFFAOYSA-N
Formula
C12H14BrNO4
Mass
316.151
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 Bromobenzenes Fatty acid methyl esters Toluenes Aryl bromides Methyl esters C-nitro compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Bromobenzene - Toluene - Fatty acid ester - Halobenzene - Fatty acid methyl ester - Aryl bromide - Aryl halide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organobromide - Organic cation - 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