Compound Identification
SMILES
COC1=CC([C@@H]2N[C@@H]([C@H]3[C@H]2C(=O)N(C3=O)C2=CC=CC(=C2)C(O)=O)C(O)=O)=C(OC)C=C1
InChIKey
InChIKey=ZRBRCYWEXZDFLF-BDXSIMOUSA-N
Formula
C22H20N2O8
Mass
440.408
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
Phenylpyrrolidines Dimethoxybenzenes L-alpha-amino acids Benzoic acids Phenoxy compounds Pyrrolidine carboxylic acids Anisoles Benzoyl derivatives Aralkylamines Alkyl aryl ethers N-substituted carboxylic acid imides Pyrrolidine-2-ones Pyrroles Dicarboximides Amino acids Lactams Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - 2-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Dimethoxybenzene - P-dimethoxybenzene - L-alpha-amino acid - Benzoic acid - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Pyrrole - Amino acid - Amino acid or derivatives - Lactam - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Aromatic heteropolycyclic 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