Compound Identification
SMILES
OP(O)(=O)C(N=C1SC=C(N1CC=C)C1=CC=C(C=C1)[N+]([O-])=O)P(O)(O)=O
InChIKey
InChIKey=RPQVNOFEHXJEKF-UHFFFAOYSA-N
Formula
C13H15N3O8P2S
Mass
435.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Bisphosphonates Nitroaromatic compounds Thiazoles Organic phosphonic acids Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organophosphorus compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bisphosphonate - Nitrobenzene - Nitroaromatic compound - Azole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Thiazole - Isothiourea - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organophosphorus compound - Organic oxide - 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