Compound Identification
SMILES
O[C@]1(ON=C([C@@H]1NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)N1CCCCC1)C(F)(F)F
InChIKey
InChIKey=LHWVWTOMJNLINW-SWLSCSKDSA-N
Formula
C16H17F3N4O5
Mass
402.33
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
Benzamides Benzoyl derivatives Nitroaromatic compounds Piperidines Imidolactams Isoxazolines Secondary carboxylic acid amides Fluorohydrins Organic oxoazanium compounds Amidines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives Alkyl fluorides Amines Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Imidolactam - Piperidine - Isoxazoline - Carboxamide group - Fluorohydrin - Halohydrin - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Amidine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Amine - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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