Compound Identification
SMILES
CC1=C(C#N)C2=C(C1=CC1=CC=C(OCC3=CC=C(C=C3)[N+]([O-])=O)C=C1)C(C)=C(C#N)C(N)=[NH+]2
InChIKey
InChIKey=UUEDHKQXPMLPBS-UHFFFAOYSA-O
Formula
C26H20N5O3
Mass
450.477
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
Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Aminopyridines and derivatives Methylpyridines Pyridinium derivatives Heteroaromatic compounds Organic oxoazanium compounds Azacyclic compounds Nitriles Primary amines Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Aminopyridine - Methylpyridine - Pyridine - Pyridinium - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Cyanide - Organic nitrogen compound - Organic oxide - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic 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