Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC[N+](C)(C)C

InChIKey

InChIKey=JXUOFXBSKGTXOG-LJQANCHMSA-O

Formula

C21H28N3O6

Mass

418.469

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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

Acyl choline - Nitrobenzene - Nitroaromatic compound - Choline - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Tetraalkylammonium salt - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Quaternary ammonium salt - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Enamine - Organoheterocyclic compound - Organic oxoazanium - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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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