Compound Identification
SMILES
NC1=NC(=NC(N2CCOCC2)=C1[N+]([O-])=O)N1CCCCC1
InChIKey
InChIKey=DDJPIDKIGRRYDI-UHFFFAOYSA-N
Formula
C13H20N6O3
Mass
308.342
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
-
Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
-
Level 5
C-nitro compounds
-
Subclass
Organic nitro compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Dialkylarylamines Aminopyrimidines and derivatives Piperidines Imidolactams Morpholines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - Morpholine - Oxazinane - Piperidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary amine - Amine - Organic zwitterion - Organic nitrogen compound - Organic salt - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available