Compound Identification
SMILES
CC(SC1=NC(NN1)=C1C=CC=CC1=O)C(=O)NC1=CC(=C(C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=ADBOGKFGJCCCPJ-UHFFFAOYSA-N
Formula
C18H17N5O4S
Mass
399.43
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 Nitrotoluenes N-arylamides Nitroaromatic compounds O-quinomethanes Vinylogous amides Triazolines Secondary carboxylic acid amides Ketene acetals Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Anilide - Nitroaromatic compound - O-quinomethane - Quinomethane - N-arylamide - Toluene - Triazoline - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Ketone - C-nitro compound - Secondary carboxylic acid amide - Cyclic ketone - Organic nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Azacycle - Organonitrogen compound - Organic salt - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - 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