Compound Identification
SMILES
COC1=C(OC(C)C)C(Br)=CC(C=C(C#N)C(=O)NC2=CC=CC(=C2)C(O)=O)=C1
InChIKey
InChIKey=NEHHKALIGSVTPI-UHFFFAOYSA-N
Formula
C21H19BrN2O5
Mass
459.296
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
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Cinnamic acid amides Anilides Benzoic acids N-arylamides Methoxybenzenes Benzoyl derivatives Anisoles Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Secondary carboxylic acid amides Nitriles Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid amide - Anilide - Benzoic acid - Methoxybenzene - N-arylamide - Phenol ether - Benzoyl - Phenoxy compound - Anisole - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Nitrile - Ether - Carbonitrile - Organic nitrogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Cyanide - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available