Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1COC1=CC=C(C=C2C(=O)N=C3SC(CC(=O)N4CCOCC4)=NN3C2=N)C=C1
InChIKey
InChIKey=SOTQEQWIYAARIK-UHFFFAOYSA-N
Formula
C25H22N6O6S
Mass
534.55
Taxonomic Classification
Taxonomy Tree
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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
Phenoxy compounds Phenol ethers Nitroaromatic compounds Pyrimidones Alkyl aryl ethers Hydropyrimidines Imidolactams Morpholines Thiadiazolines Tertiary carboxylic acid amides N-acylimines Organic oxoazanium compounds Dialkyl ethers Amidines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Tertiary carboxylic acid amide - Thiadiazoline - Organic nitro compound - C-nitro compound - Carboxamide group - N-acylimine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Amidine - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic 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