Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC(NC(=O)C(=CC2=CC=CN2C2=CC(=CC=C2)[N+]([O-])=O)C#N)=CC=C1

InChIKey

InChIKey=ROLWFWOIBITBQF-UHFFFAOYSA-N

Formula

C21H14N4O5

Mass

402.366

Export to:

JSON SDF CSV

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 - 1-phenylpyrrole - Benzoic acid - Nitrobenzene - Anilide - Nitroaromatic compound - Benzoyl - N-arylamide - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Organic oxoazanium - Organic zwitterion - Cyanide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic salt - 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

Previous Back Next