Compound Identification
SMILES
OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CN)C(C)=O
InChIKey
InChIKey=IXANSZHZXOKYKW-UHFFFAOYSA-N
Formula
C21H23N5O11
Mass
521.439
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 Benzoic acid esters Nitrophenols Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Tertiary carboxylic acid amides Acetamides Alpha-amino ketones Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Organic zwitterions Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Acylaminobenzoic acid or derivatives - Nitrophenol - Benzoate ester - Acetanilide - Nitrobenzene - Anilide - Benzoyl - Nitroaromatic compound - Phenol - Acetamide - Tertiary carboxylic acid amide - Alpha-aminoketone - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Ketone - C-nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organooxygen compound - Organic oxide - Organonitrogen compound - 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