Compound Identification
SMILES
CC(=O)C1=C(C)NC(N[N+]([O-])=O)=NC1C1=CC=CC=C1
InChIKey
InChIKey=MLJUMKCKSDCXLE-UHFFFAOYSA-N
Formula
C13H14N4O3
Mass
274.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Guanidines
- Level 5 Nitroguanidines
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Subclass
Guanidines
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Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Guanidines
Intermediate Tree Nodes
Not available
Direct Parent
Nitroguanidines
Alternative Parents
Hydropyrimidines Benzene and substituted derivatives Vinylogous amides Nitramines Ketones Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroguanidine - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Nitramine - Vinylogous amide - Ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboximidamide - Organoheterocyclic compound - Organic salt - Organic zwitterion - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroguanidines. These are organonitrogen compounds containing a nitro group, which is N-linked to a guanidine.
External Descriptors
Not available