Compound Identification
SMILES
CC1=C(F)C(=C(N(F)[C@@H]2CCCN2)C(=C1F)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=KMOMQQCLTZWMGB-ZCFIWIBFSA-N
Formula
C11H11F3N4O4
Mass
320.228
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Nitrotoluenes
- Level 6 Dinitrotoluenes
-
Level 5
Nitrotoluenes
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Nitrotoluenes
Direct Parent
Dinitrotoluenes
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Fluorobenzenes Aryl fluorides Pyrrolidines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dinitrotoluene - Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyrrolidine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.
External Descriptors
Not available