Compound Identification
SMILES
OC1=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C2=C(O)NC(=S)NC2=O)C(=O)NC(=S)N1
InChIKey
InChIKey=MLLBIKOBUKZITM-UHFFFAOYSA-N
Formula
C15H11N5O6S2
Mass
421.4
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 2-Thiopyrimidines Hydroxypyrimidines Pyrimidinethiones Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Vinylogous acids Lactams Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Pyrimidone - Hydroxypyrimidine - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous acid - Vinylogous amide - Lactam - C-nitro compound - Thiourea - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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