Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=O)CSC2=NN=C(O2)C2=CC(=CC=C2)[N+]([O-])=O)C=C(C)C(Cl)=C1

InChIKey

InChIKey=SWKCUUCXIYEPQQ-UHFFFAOYSA-N

Formula

C18H15ClN4O5S

Mass

434.85

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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 - Methoxyaniline - Anisole - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - C-nitro compound - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Ether - Organoheterocyclic compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - 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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