Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NC2=NC(N\N=C\C3=CC=NC=C3)=NC(=N2)N2CCCCCC2)C=C1
InChIKey
InChIKey=HSFSKIFLSHVZEY-HZHRSRAPSA-N
Formula
C21H23N9O2
Mass
433.476
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
1,3,5-triazine-2,4-diamines Aniline and substituted anilines Nitroaromatic compounds Dialkylarylamines Azepanes Pyridines and derivatives 1,3,5-triazines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrazones Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Azepane - 1,3,5-triazine - Pyridine - Triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Hydrazone - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic salt - Organic zwitterion - Organic oxide - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available