Structure Information
Structure

Compound Identification

SMILES

CC(OC(=O)C1=C(C)N=C2N(C)NC(C3CCCC3)=C2C1C1=CC=CC=C1[N+]([O-])=O)C1=CSC=C1

InChIKey

InChIKey=QSKHLWZCCAGRHM-UHFFFAOYSA-N

Formula

C26H28N4O4S

Mass

492.59

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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 - Nitroaromatic compound - Imidolactam - Pyrazoline - Thiophene - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid amidrazone - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Amidine - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - 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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