Compound Identification
SMILES
COCCCNC1=C(C#N)C(=O)NC(S1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=UIRCPUJKISGVJE-UHFFFAOYSA-N
Formula
C15H16N4O4S
Mass
348.38
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 Vinylogous thioesters 1,3-thiazines Vinylogous amides Secondary carboxylic acid amides Ketene acetals Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Nitriles Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Carbonyl compounds Amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Meta-thiazine - Vinylogous thioester - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxoazanium - Carbonitrile - Nitrile - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Cyanide - Organic nitrogen compound - Organic oxide - Organic zwitterion - Organic salt - 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