Compound Identification
SMILES
COC(=O)C1=C(SSC1=N)C(=NNC1=CC=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=OHKHHACZSNZHCJ-UHFFFAOYSA-N
Formula
C12H9N5O6S2
Mass
383.35
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
Phenylhydrazines Nitroaromatic compounds Methyl esters Heteroaromatic compounds 1,2-dithioles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Amidines Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Methyl ester - 1,2-dithiole - Dithiole - Heteroaromatic compound - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Hydrazone - Organic 1,3-dipolar compound - Organic oxoazanium - Amidine - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organic nitrogen compound - 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