Compound Identification
SMILES
CCC1=NN=C(NC(C2=CC(=CC=C2)[N+]([O-])=O)P(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)S1
InChIKey
InChIKey=RKTLHGJOWVHJLZ-UHFFFAOYSA-N
Formula
C23H21N4O5PS
Mass
496.48
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
Phenoxy compounds Nitroaromatic compounds Phosphonic acid diesters Phosphonic acid esters Thiadiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organophosphorus compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phosphonic acid diester - Phosphonic acid ester - Azole - Organophosphonic acid derivative - Heteroaromatic compound - Thiadiazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic salt - 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