Structure Information
Structure

Compound Identification

SMILES

CC1=NN2C(S1)=NC(=O)\C(=C/C1=CC=C(O1)C1=C(C)C=CC(=C1)[N+]([O-])=O)C2=N

InChIKey

InChIKey=JAWBOZZNWIUXEO-AKYNJECVSA-N

Formula

C18H13N5O4S

Mass

395.39

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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 heteropolycyclic compounds

Substituents

Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Pyrimidone - Toluene - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Furan - Heteroaromatic compound - Thiadiazoline - C-nitro compound - Organic nitro compound - N-acylimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Amidine - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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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