Compound Identification
SMILES
COC1=C(CC2=C(CN(CCC(C)C)C(=O)C3=C(Cl)C(OCCN4CCCCC4)=C(OC)C=C3)N=C3C=CC=CN23)C=C(Br)C=C1
InChIKey
InChIKey=WSPCOYRZTNPHJU-UHFFFAOYSA-N
Formula
C36H44BrClN4O4
Mass
712.13
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 Imidazo[1,2-a]pyridines Imidazopyridines Benzoyl derivatives Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Chlorobenzenes Piperidines Aryl bromides Aryl chlorides Pyridines and derivatives N-substituted imidazoles Vinylogous halides Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Imidazopyridine - Imidazo[1,2-a]pyridine - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Bromobenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Piperidine - N-substituted imidazole - Heteroaromatic compound - Vinylogous halide - Azole - Tertiary carboxylic acid amide - Imidazole - Amino acid or derivatives - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic heteropolycyclic 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