Compound Identification
SMILES
COC1=CC(C(=O)N2CCCCC[C@@H]2C2=CC=NC=C2)=C(Br)C=C1
InChIKey
InChIKey=HCAIVCBKEOJEFO-GOSISDBHSA-N
Formula
C19H21BrN2O2
Mass
389.293
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Azepanes Bromobenzenes Pyridines and derivatives Aryl bromides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Azepane - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available