Structure Information
Structure

Compound Identification

SMILES

O[C@H](CNC(=O)C1=CC=C(OCC2=CN=CC=C2)C=C1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=FDJXPUXNCNSJLK-HXUWFJFHSA-N

Formula

C21H19N3O5

Mass

393.399

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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

Benzamide - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic alcohol - 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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