Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=[N+](C=C1)C(=C(S)NC1=CC(Cl)=CC=C1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=UFHIAZBWSFAVNS-UHFFFAOYSA-O

Formula

C23H21ClN3O3S

Mass

454.95

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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 - Benzoyl - Nitroaromatic compound - Aryl ketone - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Pyridinium - Alpha-branched alpha,beta-unsaturated-ketone - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Vinylogous amide - Acryloyl-group - Enone - Organic nitro compound - Ketone - C-nitro compound - Azacycle - Secondary amine - Organoheterocyclic compound - Alkylthiol - Organic oxoazanium - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur 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

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