Compound Identification
SMILES
NC1=C(C#N)[C@@H]([C@@H](C#N)C(=N)S1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=IIJOQDDOZIXVOX-MWLCHTKSSA-N
Formula
C13H9N5O2S
Mass
299.31
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 Thiopyrans Imidothiolactones Ketene acetals Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Thiopyran - Imidothiolactone - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - 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 - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Amine - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Cyanide - 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