Structure Information
Structure

Compound Identification

SMILES

CN1C(C)=NC2=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3)=C(C=C12)[N+]([O-])=O

InChIKey

InChIKey=FIABOHGSEUXCDO-UHFFFAOYSA-N

Formula

C16H12Cl2N4O3

Mass

379.2

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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

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzimidazole - Benzamide - 1,3-dichlorobenzene - Benzoyl - Nitroaromatic compound - Chlorobenzene - Halobenzene - N-substituted imidazole - Aryl chloride - Aryl halide - Imidazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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