Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C[NH+]2CCN(CC2)C(=O)C2=CC=CS2)C=C1
InChIKey
InChIKey=XFAZTBNRJSOIAC-UHFFFAOYSA-O
Formula
C16H18N3O3S
Mass
332.4
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
Thiophene carboxamides Phenylmethylamines 2-heteroaryl carboxamides Nitroaromatic compounds Benzylamines Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Amino acids and derivatives Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Benzylamine - 2-heteroaryl carboxamide - Phenylmethylamine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Nitroaromatic compound - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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