Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.CN1C[C@@H]2[C@@H](C1)C1=C(OC3=CC=CC=C23)C=CC(Cl)=C1

InChIKey

InChIKey=GMDCDXMAFMEDAG-TXUHOWFZSA-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

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 amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid - Carboxylic acid derivative - Ether - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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

CHEBI:71246 : maleate salt

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