Compound Identification
SMILES
OC(COC1=CC=CC=C1)CN1CCN(CC1)C(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=ZPEWORBLOCTOCO-UHFFFAOYSA-N
Formula
C20H23BrN2O3
Mass
419.319
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes N-alkylpiperazines Aryl bromides Vinylogous halides Tertiary carboxylic acid amides Amino acids and derivatives 1,2-aminoalcohols Trialkylamines Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Vinylogous halide - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - 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