Compound Identification
SMILES
C[C@H](SC1=NNC(N1CC1=CC=CC=C1)=C1C=CC(=O)C=C1)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BCRUGHMSWRSFAC-INIZCTEOSA-N
Formula
C24H21N5O4S
Mass
475.52
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 P-quinomethanes N-arylamides Nitroaromatic compounds Triazolines Secondary carboxylic acid amides Ketene acetals Sulfenyl compounds Azacyclic compounds Hydrazones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitroaromatic compound - P-quinomethane - Quinomethane - N-arylamide - Triazoline - Carboxamide group - Ketene acetal or derivatives - Ketone - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Cyclic ketone - Carboxylic acid derivative - Hydrazone - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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