Structure Information
Structure

Compound Identification

SMILES

NC1=C(C(=O)CN1NC(=O)C1=CC(=CC=C1)[N+]([O-])=O)C1=NC(=CS1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=VJJZAQVDDNUMBE-UHFFFAOYSA-N

Formula

C20H14ClN5O4S

Mass

455.87

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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

Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous amide - Pyrroline - Thiazole - Organic nitro compound - Carboxylic acid hydrazide - Ketene acetal or derivatives - Ketone - C-nitro compound - Cyclic ketone - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic zwitterion - Organic salt - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - 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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