Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=C2SC3=[N+](C2=O)C(=CS3)C2=CC(=CC=C2)[N+]([O-])=O)=CC(OC)=C1OC

InChIKey

InChIKey=CIILKHKNVQCWMT-UHFFFAOYSA-N

Formula

C21H17N2O6S2

Mass

457.49

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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 - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Thioenolether - C-nitro compound - Lactam - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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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