Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(NC2=C(C(NCCN3CCOCC3)=NC=N2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=KARUMNSXMKLHME-UHFFFAOYSA-N

Formula

C18H22N6O5

Mass

402.411

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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 - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Dialkyl ether - Ether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Organic salt - 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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