Structure Information
Structure

Compound Identification

SMILES

CC1=C(SC(NC2=CC=CC=C2Cl)=N1)C(=O)CC(=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(=O)NC1=C(C)C=C(C)C=C1

InChIKey

InChIKey=MHOTXJJSZSYHDV-UHFFFAOYSA-N

Formula

C28H24ClN7O6S

Mass

622.05

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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 - Anilide - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Phenylhydrazine - M-xylene - Xylene - N-arylamide - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Fatty acyl - 1,3-thiazol-2-amine - Aryl chloride - Aryl halide - Fatty amide - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ketone - C-nitro compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Hydrazone - Secondary amine - Organic oxoazanium - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic zwitterion - Organochloride - Organonitrogen compound - Organooxygen compound - 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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