Compound Identification
SMILES
C\C(=N/NC1=NC(=CS1)C1=C([O-])ON=[N+]1C1=CC=C(C)C=C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=MXVPSBGAHQOWHM-LPYMAVHISA-N
Formula
C20H16N6O4S
Mass
436.45
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 Toluenes 2,4-disubstituted thiazoles Heteroaromatic compounds 1,2,3-oxadiazoles Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Toluene - Azole - Heteroaromatic compound - Oxadiazole - Thiazole - 1,2,3-oxadiazole - C-nitro compound - Organic nitro compound - Hydrazone - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic salt - Organic zwitterion - Hydrocarbon derivative - 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