Compound Identification
SMILES
OC(=O)C1=CC=C(CN2C=CC(OCC3=CC=CC=C3)=C(Br)C2=O)C=C1
InChIKey
InChIKey=LPNHTXFWSVMVCX-UHFFFAOYSA-N
Formula
C20H16BrNO4
Mass
414.255
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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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
Not available
Direct Parent
Benzoic acids
Alternative Parents
Benzoyl derivatives Pyridinones Dihydropyridines Alkyl aryl ethers Aryl bromides Vinylogous esters Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Alkyl aryl ether - Dihydropyridine - Pyridinone - Aryl bromide - Aryl halide - Pyridine - Hydropyridine - Heteroaromatic compound - Vinylogous ester - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available