Structure Information
Structure

Compound Identification

SMILES

CC(SCCN(C)C)C1=C(ON(C1=O)C1=C(C=C(C)C=C1)[N+]([O-])=O)C(C)(C)C

InChIKey

InChIKey=IMPOWBZVAWRHBE-UHFFFAOYSA-N

Formula

C20H29N3O4S

Mass

407.53

Export to:

JSON SDF CSV

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

Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Toluene - Azole - Isoxazole - Heteroaromatic compound - Lactam - C-nitro compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Oxacycle - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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

Previous Back Next