Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=O)\C1=C/NC1=CC(=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=SMHDHVQBAHSFAD-ZROIWOOFSA-N

Formula

C17H12ClN5O5

Mass

401.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Aniline and substituted anilines

Intermediate Tree Nodes

Not available

Direct Parent

Dinitroanilines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrazolinone - Pyrazoline - Vinylogous amide - Organic nitro compound - C-nitro compound - Allylamine - Azacycle - Carboxylic acid derivative - Enamine - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Amine - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.

External Descriptors

Not available

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