Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C([O-])=O.C[NH+](C)CCOC1CC2=CC=CC=C2OC2=CC=CC=C12

InChIKey

InChIKey=ZMDDHRBOVFSHMA-BTJKTKAUSA-N

Formula

C22H25NO6

Mass

399.443

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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 Unsaturated fatty acids Dicarboxylic acids and derivatives Benzenoids Quaternary ammonium salts Trialkylamines Carboxylic acid salts Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations

Molecular Framework

Not available

Substituents

Dibenzoxepine - Diaryl ether - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic cation - 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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