Compound Identification
SMILES
COC1=C(NC(=O)N2CCCN2C(=O)C2=C(C=CC(NC(C)=O)=C2)[N+]([O-])=O)C=C(Cl)C=C1
InChIKey
InChIKey=NIISYXFDLIIGMP-UHFFFAOYSA-N
Formula
C20H20ClN5O6
Mass
461.86
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
Acetanilides N-phenylureas Methoxyanilines N-acetylarylamines Nitrobenzenes Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Acetamides Semicarbazides Pyrazolidines Carboxylic acid hydrazides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Carbonyl compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Acetanilide - N-phenylurea - N-acetylarylamine - Nitrobenzene - Methoxyaniline - Anilide - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrazolidine - Acetamide - Semicarbazide - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organohalogen compound - Carbonyl group - Organochloride - 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