Compound Identification
SMILES
CC1=C(C)C(NC=C(C#N)C2=NC(=CS2)C2=CC(=CC=C2)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=KTZRWJAVOAWPLF-UHFFFAOYSA-N
Formula
C20H16N4O2S
Mass
376.43
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
o-Xylenes Nitroaromatic compounds Aniline and substituted anilines 2,4-disubstituted thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Enamines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - O-xylene - Xylene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Azole - Thiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Enamine - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Amine - Organic salt - Cyanide - Organic oxide - 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