Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(COC2=CC=C(C=C2)C(=S)N2CCN(CC3=CC=CC=C3)CC2)=C1
InChIKey
InChIKey=VVIAAIPTVUTIEA-UHFFFAOYSA-N
Formula
C25H25N3O3S
Mass
447.55
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
Benzylamines Phenylmethylamines Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Aralkylamines N-alkylpiperazines Thioamides Trialkylamines Thiocarboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Thiocarbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Thioamide - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thiocarboxylic acid amide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - 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