Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)N(C)C(=O)CCN1C=NC2=C1NC=NC2Cl
InChIKey
InChIKey=AWWBMTBVSKBEIP-UHFFFAOYSA-N
Formula
C17H18ClN5O3
Mass
375.81
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
Benzoic acid esters Anilides Purines and purine derivatives Benzoyl derivatives N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Formamidines Carboxamidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amines Carbonyl compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - Imidazopyrimidine - Anilide - Purine - Benzoyl - N-substituted imidazole - Imidazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Methyl ester - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Carboxylic acid amidine - Formamidine - Carboxylic acid derivative - Amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - 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