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Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=NN(C(=O)C2=C(NC(=O)C3=C(C)C(=CC=C3)[N+]([O-])=O)SC=C12)C1=CC=C(OC)C=C1

InChIKey

InChIKey=BFFDXNVDKLBPBD-UHFFFAOYSA-N

Formula

C24H20N4O7S

Mass

508.51

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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

Benzamide - Benzoic acid or derivatives - Nitrobenzene - Thieno[3,4-d]pyridazine - Thienopyridazine - O-toluamide - Toluamide - Methoxyaniline - Nitrotoluene - Anisole - Phenoxy compound - Benzoyl - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridazinone - Toluene - Pyridazine - Vinylogous amide - Thiophene - Heteroaromatic compound - Lactam - C-nitro compound - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - 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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