Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(Br)=C(NC(=O)CSC2=NN=C(CNC3=CC(Cl)=CC=C3)O2)C=C1

InChIKey

InChIKey=XMLIZVAESLSXIL-UHFFFAOYSA-N

Formula

C17H13BrClN5O4S

Mass

498.74

Export to:

JSON SDF CSV

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 - Aryl thioether - Nitroaromatic compound - N-arylamide - Aniline or substituted anilines - Phenylalkylamine - Bromobenzene - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aralkylamine - Aryl chloride - Aryl bromide - Aryl halide - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - C-nitro compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organic oxoazanium - Azacycle - Organic salt - Organic nitrogen compound - Organohalogen compound - Amine - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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

Previous Back Next