Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(N)C=C1[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=KQRJATLINVYHEZ-UHFFFAOYSA-N

Formula

C7H7N3O4

Mass

197.15

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Nitrotoluenes

Direct Parent

Dinitrotoluenes

Alternative Parents

Dinitroanilines Nitrobenzenes Nitroaromatic compounds Aminotoluenes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dinitrotoluene - Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Aminotoluene - Aniline or substituted anilines - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.

External Descriptors

CHEBI:77424 : amino-nitrotoluene
META CYC (CPD-10455) : an aromatic compound

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