Compound Identification
SMILES
CC1=C(C(C)=C(N1)C#N)C1=NC(NC2=CC(=C(C)C=C2)[N+]([O-])=O)=NC=C1
InChIKey
InChIKey=VAIKGIPWMFDXHE-UHFFFAOYSA-N
Formula
C18H16N6O2
Mass
348.366
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Nitrotoluenes Nitroaromatic compounds Aniline and substituted anilines Aminopyrimidines and derivatives Substituted pyrroles Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Toluene - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Secondary amine - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Organonitrogen compound - 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