Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1[C@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCC[NH+]2CC[NH+](C)CC2)=C(C)N=C1C

InChIKey

InChIKey=QNADNSKTHDQUIO-QWAKEFERSA-P

Formula

C23H32N4O6

Mass

460.53

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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 - Nitroaromatic compound - Dihydropyridine - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydropyridine - Piperazine - Quaternary ammonium salt - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Ketimine - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic salt - 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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