Compound Identification
SMILES
[O-][N+](=O)C1=CC(C#N)=C(NC(=O)COC(=O)C2=CC=CS2)C=C1
InChIKey
InChIKey=AMWZBCCYNRWMIU-UHFFFAOYSA-N
Formula
C14H9N3O5S
Mass
331.3
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 Thiophene carboxylic acids and derivatives Benzonitriles N-arylamides Nitroaromatic compounds Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Organic oxoazanium compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Benzonitrile - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - N-arylamide - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Organic cation - 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