Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C12OC(=N)C(C#N)(C1C)C(C#N)(C#N)C(O2)C1=CC(=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=VSRQRFZYYWYRRL-UHFFFAOYSA-N

Formula

C23H16ClN5O5

Mass

477.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - 1,3-dioxepane - Alkyl aryl ether - Chlorobenzene - Ketal - Dioxepane - Halobenzene - Aryl chloride - Aryl halide - Oxane - Oxolane - Imido ester - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Acetal - Ether - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Cyanide - Organic oxide - Organohalogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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