Compound Identification
SMILES
C[C@@H](CN)NCC1=C(F)C=CC(=C1F)[N+]([O-])=O
InChIKey
InChIKey=YQWVIVMTSCBKKN-LURJTMIESA-N
Formula
C10H13F2N3O2
Mass
245.23
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
Phenylmethylamines Nitroaromatic compounds Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Organofluorides Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Benzylamine - Nitroaromatic compound - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - 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 - Secondary amine - Secondary aliphatic amine - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Organic nitrogen compound - Primary amine - 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