Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CC(=C1)C(=O)NC1=NC(=CS1)C1=CC=C(C=C1)C#N)[N+]([O-])=O
InChIKey
InChIKey=RTNWTVNQYUVRIR-UHFFFAOYSA-N
Formula
C17H9N5O5S
Mass
395.35
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
Benzamides Benzonitriles Benzoyl derivatives Nitroaromatic compounds 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Nitriles Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzonitrile - Benzoyl - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Organoheterocyclic compound - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - 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