Structure Information
Structure

Compound Identification

SMILES

CCNC=C(SC1=C(Cl)C=CC(=C1)[N+]([O-])=O)C(=O)OC

InChIKey

InChIKey=RRVCYIIKBHEBDF-UHFFFAOYSA-N

Formula

C12H13ClN2O4S

Mass

316.76

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Aryl thioether - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Thioenolether - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Sulfenyl compound - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic 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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