Compound Identification
SMILES
CN1OC(C)(C)C(=O)C(C1=O)C1=CC(C)=C(C)C=C1Br
InChIKey
InChIKey=KUBHCWLKLWRDMU-UHFFFAOYSA-N
Formula
C15H18BrNO3
Mass
340.217
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
o-Xylenes
Alternative Parents
Bromobenzenes Aryl bromides 1,3-dicarbonyl compounds 1,2-oxazinanes Cyclic ketones Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-xylene - Bromobenzene - Halobenzene - 1,2-oxazinane - Aryl bromide - Aryl halide - Oxazinane - 1,3-dicarbonyl compound - Ketone - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
External Descriptors
Not available