Structure Information
Structure

Compound Identification

SMILES

NC1=CC(=C(NCCCCCC(=O)ON2C(=O)C[C@@H](C2=O)S(O)(=O)=O)C=C1)[N+]([O-])=O

InChIKey

InChIKey=NIBWILZKWXMCMJ-ZDUSSCGKSA-N

Formula

C16H20N4O9S

Mass

444.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - 2-pyrrolidone - Pyrrolidone - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Organosulfonic acid or derivatives - Pyrrolidine - Dicarboximide - Organic sulfonic acid or derivatives - Lactam - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Primary amine - Amine - Organic salt - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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