Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=C(C=C1)N(CCN1N=NC2=C(N=CN2C1=O)C(N)=O)CCN1N=NC2=C(N=CN2C1=O)C(N)=O)[N+]([O-])=O

InChIKey

InChIKey=KUTMHOWBGGAYTC-UHFFFAOYSA-N

Formula

C21H20N14O6

Mass

564.483

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazotetrazines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Imidazotetrazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Imidazotetrazine - Nitrobenzene - Nitrotoluene - 2-heteroaryl carboxamide - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Imidazole-4-carbonyl group - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Tetrazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Organic nitro compound - Carboxamide group - Amino acid or derivatives - C-nitro compound - Tertiary amine - Primary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Organic zwitterion - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as imidazotetrazines. These are organic polycyclic compounds containing an imidazole ring fused to a tetrazine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Tetrazine is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms.

External Descriptors

Not available

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