Compound Identification
SMILES
CC1=NC2=C(N1)C=C(C(=O)NOCCO)C(NC1=C(Cl)C=C(Br)C=C1)=C2F
InChIKey
InChIKey=QKVXJFIPLVCERB-UHFFFAOYSA-N
Formula
C17H15BrClFN4O3
Mass
457.68
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzimidazoles Aniline and substituted anilines Chlorobenzenes Bromobenzenes Primary aromatic amines Aryl bromides Aryl chlorides Aryl fluorides Vinylogous amides Imidazoles Heteroaromatic compounds Amino acids and derivatives Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organofluorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzimidazole - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Primary aromatic amine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Amino acid or derivatives - Secondary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organobromide - Organochloride - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available