Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC(=C1)C(=O)NC1=C(C(N)=O)C2=C(CCC2)S1)[N+]([O-])=O

InChIKey

InChIKey=CMLDUZNXLVEQNY-UHFFFAOYSA-N

Formula

C16H15N3O4S

Mass

345.37

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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 heteropolycyclic compounds

Substituents

Benzamide - Benzoic acid or derivatives - M-toluamide - Toluamide - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Toluene - Thiophene - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic 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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