Compound Identification
SMILES
CC1=C(C#N)C(NCCCOCCCCO)=NC(N)=C1N=NC1=C(C=C(C=C1)[N+]([O-])=O)C#N
InChIKey
InChIKey=BRQRMBMTZYKDPB-UHFFFAOYSA-N
Formula
C21H24N8O4
Mass
452.475
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
3-pyridinecarbonitriles Benzonitriles Nitroaromatic compounds Aminopyridines and derivatives Methylpyridines Imidolactams Heteroaromatic compounds Azo compounds Organic oxoazanium compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Primary amines Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Benzonitrile - 3-pyridinecarbonitrile - Aminopyridine - Methylpyridine - Pyridine - Imidolactam - Heteroaromatic compound - Azo compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary alcohol - Primary amine - Cyanide - Organic zwitterion - Alcohol - Amine - Organic nitrogen compound - Organic salt - 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