Compound Identification
SMILES
CC1=CN(C(=O)C2=CC(Br)=CC=C2)C(C)=N1
InChIKey
InChIKey=GROGNLLOXGGDRJ-UHFFFAOYSA-N
Formula
C12H11BrN2O
Mass
279.137
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
Benzoyl derivatives 1,2,4-trisubstituted imidazoles N-acylimidazoles Carbonylimidazoles Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,2,4-trisubstituted-imidazole - Benzoyl - Trisubstituted imidazole - N-acylimidazole - Bromobenzene - Imidazole-1-carbonyl group - Halobenzene - Aryl bromide - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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