Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)NC(C(NC2=CC=CC=C2C(O)=O)SCC2=CC=CC=C2)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC

InChIKey

InChIKey=XAPAQRLNHRXCMT-UHFFFAOYSA-N

Formula

C33H33N3O8S

Mass

631.7

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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 heteromonocyclic compounds

Substituents

Nitrobenzene - Benzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Dihydropyridine - Hydropyridine - Dicarboxylic acid or derivatives - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Amino acid - C-nitro compound - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Enamine - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Thioether - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carbonyl group - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Organic zwitterion - Hydrocarbon derivative - 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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