Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(OC(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)=C1SC1=CC=C(Cl)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=XJZUVJFFMIENSL-UHFFFAOYSA-N

Formula

C23H15Cl2N3O4S

Mass

500.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzoate - Phenylpyrazole - Diarylthioether - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Benzoyl - Nitroaromatic compound - Aryl thioether - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Pyrazole - Azole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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