Compound Identification
SMILES
CC(C)(C)OC(=O)NC1=NOC2=C1C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=OTINQIFCOFSFII-UHFFFAOYSA-N
Formula
C12H13N3O5
Mass
279.252
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
Nitroaromatic compounds Benzenoids Imidolactams Carbamate esters Heteroaromatic compounds Isoxazoles Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Nitroaromatic compound - Benzenoid - Imidolactam - Azole - Isoxazole - Heteroaromatic compound - Carbamic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic salt - 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