Structure Information
Structure

Compound Identification

SMILES

Cl.CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC=C(C=C3)[N+]([O-])=O)=CN2C)C=C1C(=O)NCCC(N)=N

InChIKey

InChIKey=GTWUQEHZEOPNNX-UHFFFAOYSA-N

Formula

C22H25ClN8O5

Mass

516.94

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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

Benzamide - Benzoic acid or derivatives - Nitrobenzene - 2-heteroaryl carboxamide - Nitroaromatic compound - Benzoyl - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Amidine - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Carboximidamide - Organic oxide - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - 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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