Compound Identification
SMILES
COC1=CC(O)=C(C=C1)C(=O)OCC1=CC(=O)N2C=C(Br)C=CC2=N1
InChIKey
InChIKey=NRBPGAAHDTYWEE-UHFFFAOYSA-N
Formula
C17H13BrN2O5
Mass
405.204
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
P-methoxybenzoic acids and derivatives
Alternative Parents
o-Hydroxybenzoic acid esters Methoxyphenols Salicylic acid and derivatives Pyridopyrimidines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrimidones Aryl bromides Pyridines and derivatives Vinylogous acids Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - O-hydroxybenzoic acid ester - Methoxyphenol - Pyridopyrimidine - Salicylic acid or derivatives - Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Methoxybenzene - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Pyrimidine - Pyridine - Aryl halide - Aryl bromide - Vinylogous acid - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available