Compound Identification
SMILES
CC1=C(SC(NC2=CC=CC=C2)=N1)C(=O)NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=NBURCQUYRPUOQB-UHFFFAOYSA-N
Formula
C17H14N6O5S
Mass
414.4
Taxonomic Classification
Taxonomy Tree
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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
Thiazolecarboxamides Phenylhydrazines 2,4,5-trisubstituted thiazoles Aniline and substituted anilines Nitroaromatic compounds 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids and derivatives Carboxylic acid hydrazides Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Phenylhydrazine - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Aniline or substituted anilines - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Amino acid or derivatives - Carboxylic acid hydrazide - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - 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