Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=C(C=C1)N1C(SCC1=O)C1=C[N+](C)=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=UOXFVWIDWDSFNF-UHFFFAOYSA-N

Formula

C16H16N3O3S

Mass

330.38

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

Nitrobenzene - Nitrotoluene - Nitroaromatic compound - N-methylpyridinium - Toluene - Pyridine - Pyridinium - Tertiary carboxylic acid amide - Thiazolidine - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Lactam - C-nitro compound - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkylthioether - Organic oxoazanium - Thioether - Organonitrogen compound - Organic salt - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - 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