Structure Information
Structure

Compound Identification

SMILES

BrC1=CC2=C(OCC3=NN(C(=O)C3=C2)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=IBYMNRLTGPZXAP-UHFFFAOYSA-N

Formula

C17H11BrN2O2

Mass

355.191

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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

Aromatic heteropolycyclic compounds

Substituents

Benzoxepine - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Pyrazoline - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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