Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=NC(CO)C(O)C2=CC=C(C=C2)[N+]([O-])=O)C=CC(=C1)N(CCCl)CCCl

InChIKey

InChIKey=QOCMYQOZBNKLBE-UHFFFAOYSA-N

Formula

C21H25Cl2N3O4

Mass

454.35

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Nitroaromatic compound - Toluene - Organic nitro compound - C-nitro compound - Secondary alcohol - Shiff base - Tertiary amine - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Aldimine - Organic oxygen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl chloride - Organohalogen compound - Alcohol - Organic nitrogen compound - Alkyl halide - Imine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic 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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