Compound Identification
SMILES
CCCN1C2=C(C=C(Cl)C=C2)C(O[C@H]([C@H](O)C(=O)OCC)C1=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=MIGMVLZMOBQGSJ-SJBAFXMYSA-N
Formula
C22H23Cl2NO5
Mass
452.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Secondary alcohols Lactams Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organochloride - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available