Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N(CC2=CC3=C(C=C2)C(=CC2=CC=CC=C2O3)C#N)C(=O)OC(C)(C)C)C(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=IVZWBROCWCPWJP-UHFFFAOYSA-N

Formula

C29H25N3O7

Mass

527.533

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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

Aromatic heteropolycyclic compounds

Substituents

Dibenzoxepine - Nitrobenzoate - Phenylcarbamic acid ester - Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Carbamic acid ester - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Carbonyl group - Organic oxide - Cyanide - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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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