Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC(=C(N2CCN(CC2)C2=CC=C(C=C2)[N+]([O-])=O)C(=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=VNHSJTGWBGDTJT-UHFFFAOYSA-N

Formula

C17H15N5O8

Mass

417.334

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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 - Nitrobenzoate - Phenylpiperazine - N-arylpiperazine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 1,4-diazinane - Piperazine - Amino acid or derivatives - C-nitro compound - Amino acid - Tertiary amine - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - 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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