Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)N1CC[NH+](CC2=CC3=C(OCO3)C=C2)CC1
InChIKey
InChIKey=VBZUJGAOPRQQCQ-UHFFFAOYSA-O
Formula
C19H20BrN2O3
Mass
404.283
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
Benzodioxoles Benzamides Benzoyl derivatives Aralkylamines N-alkylpiperazines Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzodioxole - Benzoyl - Halobenzene - Bromobenzene - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl halide - Piperazine - 1,4-diazinane - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic 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