Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1C(=O)NNC1=NC=NC(NCCCN2C=CN=C2)=C1[N+]([O-])=O

InChIKey

InChIKey=QMDVEIAMVSECBK-UHFFFAOYSA-N

Formula

C18H20N8O3

Mass

396.411

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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 acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid or derivatives - O-toluamide - Toluamide - Nitroaromatic compound - Benzoyl - Aminopyrimidine - Toluene - Imidolactam - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid hydrazide - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.

External Descriptors

Not available

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