Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(NC(=O)CC2=NOC3=CC=CC=C23)=C1
InChIKey
InChIKey=KJELKKXZTHBQRM-UHFFFAOYSA-N
Formula
C15H11N3O4
Mass
297.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzisoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzisoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzisoxazoles
Alternative Parents
Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic zwitterion - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
External Descriptors
Not available