Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1[C@@H](C2=CC=C(C=C2)[N+]([O-])=O)[C@@]1(C#N)C1=NN=C(O1)C1=CC=CC=C1

InChIKey

InChIKey=FQFPRWDULZDEIZ-GQIGUUNPSA-N

Formula

C20H14N4O5

Mass

390.355

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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 heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Cyclopropanecarboxylic acid or derivatives - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Aromatic heteromonocyclic 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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