Compound Identification
SMILES
FC1=C(F)C(F)=C(C(=O)N2CC[NH+](CC3=CC4=C(OCO4)C=C3)CC2)C(F)=C1F
InChIKey
InChIKey=SSRWFYGZWZONNR-UHFFFAOYSA-O
Formula
C19H16F5N2O3
Mass
415.339
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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzamides Benzodioxoles Benzoyl derivatives Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzodioxole - Benzoyl - Fluorobenzene - Aralkylamine - Halobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Vinylogous halide - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Amine - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available