Structure Information
Structure

Compound Identification

SMILES

COC([O-])=C1C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OC(C)C)=C(C)N=C1C1C(C#N)=C(C)NC(C)=C1C#[NH+]

InChIKey

InChIKey=JSRDJLPODBAFQQ-UHFFFAOYSA-N

Formula

C27H27N5O6

Mass

517.542

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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 - Hydropyridine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - C-nitro compound - Carboxylic acid ester - Ketimine - Organic nitro compound - Ketene acetal or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Enamine - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Secondary aliphatic amine - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Imine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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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