Compound Identification
SMILES
COC1=CC=C(C=C1)P1(=S)CC(NN1C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)=C1C=CC(=O)C=C1
InChIKey
InChIKey=HHMDPOMOWBLSQM-UHFFFAOYSA-N
Formula
C21H17N4O6PS
Mass
484.42
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
Anisoles Phenoxy compounds P-quinomethanes Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Diazaphospholanes Propargyl-type 1,3-dipolar organic compounds Phosphacyclic compounds Azacyclic compounds Organothiophosphorus compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - P-quinomethane - Phenol ether - Quinomethane - Methoxybenzene - Alkyl aryl ether - Diazaphospholane - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organothiophosphorus compound - Phosphacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organophosphorus compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - 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