Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC2=C(C=C(C=C2[N+]([O-])=O)S(O)(=O)=O)[N+]([O-])=O)C=CC(N)=C1

InChIKey

InChIKey=CTBCKMCULIIQJV-UHFFFAOYSA-N

Formula

C13H12N4O8S

Mass

384.32

Export to:

JSON SDF CSV

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 - Benzenesulfonate - Aminophenyl ether - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Methoxyaniline - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Primary aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organic salt - Organic zwitterion - Organic nitrogen compound - Amine - 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

Previous Back Next