Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CN)C(C)=O

InChIKey

InChIKey=IXANSZHZXOKYKW-UHFFFAOYSA-N

Formula

C21H23N5O11

Mass

521.439

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

Not available

Substituents

Acylaminobenzoic acid or derivatives - Nitrophenol - Benzoate ester - Acetanilide - Nitrobenzene - Anilide - Benzoyl - Nitroaromatic compound - Phenol - Acetamide - Tertiary carboxylic acid amide - Alpha-aminoketone - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Ketone - C-nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic homomonocyclic 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