Compound Identification
SMILES
CC1=C(NC(=O)C(=NNC(=S)NN)C2SC(=S)NC2=O)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DIFVXQFVTKOSRM-UHFFFAOYSA-N
Formula
C13H13N7O4S3
Mass
427.47
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
Anilides Nitrotoluenes N-arylamides Nitroaromatic compounds Thiazolidinethiones Cyclic dithiocarbamic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Anilide - Nitroaromatic compound - N-arylamide - Toluene - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - Carbonyl group - 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