Compound Identification
SMILES
[2H]C([2H])([2H])C1=C(C(=C(C(=C1[N+]([O-])=O)C([2H])([2H])[2H])[N+]([O-])=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[N+]([O-])=O
InChIKey
InChIKey=XMWRWTSZNLOZFN-OEBKJCDYSA-N
Formula
C12H15N3O6
Mass
312.359
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
Phenylpropanes Nitrotoluenes m-Xylenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Phenylpropane - Nitrotoluene - Nitroaromatic compound - Xylene - M-xylene - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic cation - Aromatic homomonocyclic 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