Structure Information
Structure

Compound Identification

SMILES

CCO[C@H]1CC(NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C2=CC=CC=C2[C@]1(O)C=O

InChIKey

InChIKey=LHIVPMRGNQGTCM-NGFYBIIMSA-N

Formula

C19H19N3O7

Mass

401.375

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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 homopolycyclic compounds

Substituents

Dinitroaniline - Tetralin - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Secondary aliphatic/aromatic amine - Aralkylamine - Tertiary alcohol - Organic nitro compound - C-nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Aldehyde - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organic salt - Alcohol - Organic zwitterion - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic 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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