Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxepines

Alternative Parents

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

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