Compound Identification
SMILES
CON(C)C(=O)C1=CC(N2C(=O)C=C(N=C2OC)C(F)(F)F)=C(F)C=C1Cl
InChIKey
InChIKey=BMRIUHOUEATRKJ-UHFFFAOYSA-N
Formula
C15H12ClF4N3O4
Mass
409.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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 Benzoyl derivatives Pyrimidones Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Hydropyrimidines Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Organic oxides Organochlorides Alkyl fluorides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Chlorobenzene - Pyrimidone - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organooxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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