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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Imidazotetrazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazotetrazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazotetrazines
Alternative Parents
Nitrobenzenes Nitrotoluenes 2-heteroaryl carboxamides Aminotoluenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Carbonylimidazoles N-substituted imidazoles Tetrazines Heteroaromatic compounds Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Organooxygen compounds Hydrocarbon derivatives
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