Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=O)N2CCCN2C(=O)C2=C(C=CC(NC(C)=O)=C2)[N+]([O-])=O)C=C(Cl)C=C1

InChIKey

InChIKey=NIISYXFDLIIGMP-UHFFFAOYSA-N

Formula

C20H20ClN5O6

Mass

461.86

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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

Acylaminobenzoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Acylaminobenzoic acid or derivatives - Acetanilide - N-phenylurea - N-acetylarylamine - Nitrobenzene - Methoxyaniline - Anilide - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrazolidine - Acetamide - Semicarbazide - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organohalogen compound - Carbonyl group - Organochloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

External Descriptors

Not available

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