Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(=O)CC2=CSC(=N2)C2=CC=CO2)C=C1
InChIKey
InChIKey=VUCMEJCVMJKLDC-UHFFFAOYSA-N
Formula
C21H15N3O6S2
Mass
469.49
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 Benzenesulfonyl compounds Nitroaromatic compounds N-arylamides 2,4-disubstituted thiazoles Sulfones Heteroaromatic compounds Furans Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Benzenesulfonyl group - N-arylamide - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Furan - Sulfone - Sulfonyl - Thiazole - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - 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