Structure Information
Structure

Compound Identification

SMILES

I.CSC(NC1=C(C=C(C=C1)[N+]([O-])=O)C#N)=NC(=O)C1=CC=CC=C1

InChIKey

InChIKey=CDNYDZMPEUWEDE-UHFFFAOYSA-N

Formula

C16H13IN4O3S

Mass

468.27

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 homomonocyclic compounds

Substituents

Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzonitrile - Benzoyl - Isothiourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic 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