Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)N1C(=O)CC([NH2+]CC2=CC(OC)=C(OC)C=C2)C1=O
InChIKey
InChIKey=VCFULTOBPSMCRL-UHFFFAOYSA-O
Formula
C21H23N2O6
Mass
399.422
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 Alpha amino acids and derivatives Benzoic acid esters Dimethoxybenzenes Anisoles Benzoyl derivatives Benzylamines Phenoxy compounds Phenylmethylamines Alkyl aryl ethers Aralkylamines Pyrrolidine-2-ones N-substituted carboxylic acid imides Methyl esters Pyrroles Dicarboximides Quaternary ammonium salts Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Dimethoxybenzene - Alpha-amino acid or derivatives - O-dimethoxybenzene - Benzoate ester - Phenol ether - Phenylmethylamine - Benzylamine - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - Aralkylamine - Alkyl aryl ether - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Methyl ester - Quaternary ammonium salt - Pyrrolidine - Pyrrole - Dicarboximide - Carboxylic acid imide - Carboxylic acid ester - Lactam - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic 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