Structure Information
Structure

Compound Identification

SMILES

CN1CCOC(=O)C(C#N)=C1C1=CC=CC=C1

InChIKey

InChIKey=XCNBDQDPHFMBCV-UHFFFAOYSA-N

Formula

C13H12N2O2

Mass

228.251

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Oxazepines

Subclass

1,4-oxazepines

Intermediate Tree Nodes

Not available

Direct Parent

1,4-oxazepines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Para-oxazepine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Azacycle - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively.

External Descriptors

Not available

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