Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NC(NC2=CC=CC(C)=C2)=C(C(Cl)=C(Cl)Cl)[N+]([O-])=O)=CC=C1

InChIKey

InChIKey=PBADZNPZQVRIDH-UHFFFAOYSA-N

Formula

C18H16Cl3N3O2

Mass

412.7

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Toluenes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Secondary aliphatic/aromatic amine - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl chloride - Vinyl halide - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.

External Descriptors

Not available

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