Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)C1=CN=C(NC(=O)CCOC2=CC=CC=C2)S1
InChIKey
InChIKey=HZJOTWRMNNLQHC-UHFFFAOYSA-N
Formula
C18H15N3O6S2
Mass
433.45
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
Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Nitroaromatic compounds N-arylamides 2,5-disubstituted thiazoles Alkyl aryl ethers Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Benzenesulfonyl group - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Azole - Sulfone - Sulfonyl - Thiazole - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic nitrogen compound - Carbonyl group - 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