Compound Identification
SMILES
CC1=NN(C2=NC(N)=NC(=N2)C(=CC2=CC(=CC=C2)[N+]([O-])=O)C#N)C(C)(C)C1
InChIKey
InChIKey=YOXQKKXNIRDKNX-UHFFFAOYSA-N
Formula
C18H18N8O2
Mass
378.396
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
Nitroaromatic compounds Aminotriazines 1,3,5-triazines Pyrazolines Heteroaromatic compounds N-alkylated hydrazones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Pyrazoline - Heteroaromatic compound - C-nitro compound - N-alkylated hydrazone - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Hydrazone - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Primary amine - Cyanide - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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