Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(NN=CC2=CN=C(N2C)[N+]([O-])=O)=C(Cl)C=C1

InChIKey

InChIKey=QVYYWFPGTDOJHI-UHFFFAOYSA-N

Formula

C13H12ClN5O4

Mass

337.72

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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

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Phenylhydrazine - Trisubstituted imidazole - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Imidazole - Azole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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