Compound Identification
SMILES
NC1=C(C(=O)C(CC2=CC(=CC=C2)[N+]([O-])=O)O1)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=ABYHTFIQLJOEFV-UHFFFAOYSA-N
Formula
C18H13F3N2O4
Mass
378.307
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Furanones Vinylogous esters Vinylogous amides Cyclic ketones Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organofluorides Amines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - 3-furanone - Dihydrofuran - Vinylogous amide - Vinylogous ester - Ketene acetal or derivatives - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Organic oxoazanium - Carbonyl group - Organonitrogen compound - Organofluoride - Organooxygen compound - Organohalogen compound - Organic oxide - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available