Compound Identification
SMILES
C[NH+]1CCN(CC1)C(=O)CS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=AQWYZTBIXGYQHS-UHFFFAOYSA-O
Formula
C13H18N3O5S
Mass
328.36
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 Nitroaromatic compounds N-methylpiperazines Tertiary carboxylic acid amides Sulfones Quaternary ammonium salts Trialkylamines Amino acids and derivatives Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Sulfone - Sulfonyl - Tertiary carboxylic acid amide - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Organic salt - Organic cation - 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