Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=CC=C1NC1=C(C(NC2=C(OC)C=CC(OC)=C2)=NC=N1)[N+]([O-])=O

InChIKey

InChIKey=BFZWLFGMPUREGK-UHFFFAOYSA-N

Formula

C20H19N5O6

Mass

425.401

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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

Dimethoxybenzene - P-dimethoxybenzene - Benzoate ester - Methoxyaniline - Phenol ether - Benzoyl - Aniline or substituted anilines - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Imidolactam - Methyl ester - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic salt - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic zwitterion - 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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