Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N[C@@H](CCCNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=PXVAXTMGYWSFHF-LBPRGKRZSA-N

Formula

C16H22N4O8

Mass

398.372

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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 homomonocyclic compounds

Substituents

Dinitroaniline - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Secondary aliphatic/aromatic amine - Carbamic acid ester - Organic nitro compound - Amino acid - Amino acid or derivatives - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic salt - Organic cation - Aromatic homomonocyclic 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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