Structure Information
Structure

Compound Identification

SMILES

CN(CCOC(=O)C1=C(C)NC2=C(C1C1=CC=CC=C1[N+]([O-])=O)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C2)CC1=CC=CC=C1

InChIKey

InChIKey=QKNDYUGPBLFGJE-UHFFFAOYSA-N

Formula

C30H29N3O8S2

Mass

623.7

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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 - Benzylamine - Nitroaromatic compound - Phenylmethylamine - Dihydropyridine - Aralkylamine - Sulfone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxoazanium - Enamine - Monocarboxylic acid or derivatives - Organic salt - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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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