Compound Identification
SMILES
OC(=O)\C=C/C([O-])=O.ClC1=CC2=C(C=C1)C(=O)C(C[NH+]1CCCCC1)CCO2
InChIKey
InChIKey=FXEFLBUTDXBZJH-BTJKTKAUSA-N
Formula
C20H24ClNO6
Mass
409.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Aryl alkyl ketones Alkyl aryl ethers Unsaturated fatty acids Piperidines Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Quaternary ammonium salts Trialkylamines Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Not available
Substituents
Benzoxepine - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Piperidine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available