Compound Identification
SMILES
COCCNC1=NC(N)=C(C(NCCO)=N1)[N+]([O-])=O
InChIKey
InChIKey=DVXFPUBVBSAQEM-UHFFFAOYSA-N
Formula
C9H16N6O4
Mass
272.265
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
Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Alkanolamines Primary amines Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Alkanolamine - Dialkyl ether - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxide - Alcohol - Amine - Hydrocarbon derivative - 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