Compound Identification
SMILES
[Cl-].CCN(CC)CCOC(=O)C1=NOC2=C1C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=YHPFMPWEYPIOCM-UHFFFAOYSA-M
Formula
C14H17ClN3O5
Mass
342.76
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 Isoxazoles Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Nitroaromatic compound - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic salt - Organic chloride salt - Organic cation - 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