Compound Identification
SMILES
CC1=NOC(=C1C1CC1C(O)=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PFKOYPVZOVEOTC-UHFFFAOYSA-N
Formula
C14H12BrNO3
Mass
322.158
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Isoxazoles
-
Level 5
Cyclopropylisoxazoles
- Level 6 4-cyclopropylisoxazoles
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Level 5
Cyclopropylisoxazoles
-
Subclass
Isoxazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Isoxazoles
Intermediate Tree Nodes
Cyclopropylisoxazoles
Direct Parent
4-cyclopropylisoxazoles
Alternative Parents
Bromobenzenes Cyclopropanecarboxylic acids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-cyclopropylisoxazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-cyclopropylisoxazoles. These are aromatic heterocyclic compounds containing an isoxazole ring substituted at the ring 4-position with a cyclopropyl group.
External Descriptors
Not available