Compound Identification
SMILES
[Cl-].CCN(CC)CC(O)CNC(=O)C1=NOC2=C1C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=ICFXHDVKQIQBRR-UHFFFAOYSA-M
Formula
C15H20ClN4O5
Mass
371.8
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
2-heteroaryl carboxamides Nitroaromatic compounds Benzenoids Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Secondary alcohols Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - 2-heteroaryl carboxamide - Nitroaromatic compound - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic oxygen compound - Organic chloride salt - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic 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