Compound Identification
SMILES
CC1=C(C(F)=C(C(O)=O)C(F)=C1F)[N+]([O-])=O
InChIKey
InChIKey=YLGAEXYBXVPNJJ-UHFFFAOYSA-N
Formula
C8H4F3NO4
Mass
235.118
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids 3-halobenzoic acids Halobenzoic acids Benzoic acids Nitrobenzenes Nitrotoluenes 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - 1-carboxy-2-haloaromatic compound - Benzoyl - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organic salt - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available