Compound Identification
SMILES
COC1=C(C)C=C(Br)C=C1C(=O)NC1=NC=C(Cl)C=C1
InChIKey
InChIKey=ZOCIKBBBQAGQDM-UHFFFAOYSA-N
Formula
C14H12BrClN2O2
Mass
355.62
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
m-Toluamides Benzamides Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Pyridines and derivatives Aryl bromides Aryl chlorides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organobromides Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - M-toluamide - Toluamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Pyridine - Imidolactam - Aryl chloride - Aryl halide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organobromide - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen 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