Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=CSC(=N1)N1N=C(C(=NNC2=CC(=C(C)C=C2)[N+]([O-])=O)C1=O)C1=CC=CC=C1

InChIKey

InChIKey=FDVOVVNDEZEWDP-UHFFFAOYSA-N

Formula

C26H20N6O4S

Mass

512.54

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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 - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Phenylhydrazine - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Toluene - Pyrazolinone - Azole - Heteroaromatic compound - Pyrazoline - Thiazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Hydrazone - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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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