Compound Identification
SMILES
CC1=C(NC(=O)CSC2=NN=C(O2)C2=CC=NC=C2)C=CC=C1[N+]([O-])=O
InChIKey
InChIKey=SWIHBDRNYBPNPI-UHFFFAOYSA-N
Formula
C16H13N5O4S
Mass
371.37
Taxonomic Classification
Taxonomy Tree
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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 Alkylarylthioethers Pyridines and derivatives 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitrotoluene - Aryl thioether - Nitroaromatic compound - N-arylamide - Toluene - Alkylarylthioether - Pyridine - Oxadiazole - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - 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 - Thioether - Oxacycle - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen 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