Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.CN1CC2C(C1)C1=C(OC3=CC=CC=C23)C=CC(Cl)=C1

InChIKey

InChIKey=GMDCDXMAFMEDAG-WLHGVMLRSA-N

Formula

C21H20ClNO5

Mass

401.84

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Dibenzoxepines

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzoxepines

Alternative Parents

Diarylethers Aralkylamines Unsaturated fatty acids N-alkylpyrrolidines Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Trialkylamines Oxacyclic compounds Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Not available

Substituents

Dibenzoxepine - Diaryl ether - Aralkylamine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Unsaturated fatty acid - N-alkylpyrrolidine - Benzenoid - Fatty acid - Fatty acyl - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Amine - Organic oxygen compound - Carbonyl group - Organochloride - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.

External Descriptors

Not available

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