Compound Identification
SMILES
COC(=O)CCNC(=O)NC1=C(C(N)=O)C(=NS1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KWSPUCFWCUSDPV-UHFFFAOYSA-N
Formula
C15H15N5O6S
Mass
393.37
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
Thiazolecarboxamides Nitroaromatic compounds Vinylogous amides Heteroaromatic compounds Methyl esters Ureas Primary carboxylic acid amides Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Azole - Heteroaromatic compound - Thiazole - Methyl ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Primary carboxylic acid amide - Urea - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic nitrogen 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