Compound Identification
SMILES
COC(=O)C1=CC(NC2=NC=NC(NC3=CC(NC(=O)C=C)=CC=C3)=N2)=CC(Cl)=C1
InChIKey
InChIKey=YXFOCYBCFDBQCW-UHFFFAOYSA-N
Formula
C20H17ClN6O3
Mass
424.85
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Anilides 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Benzoyl derivatives N-arylamides Chlorobenzenes Aryl chlorides 1,3,5-triazines Heteroaromatic compounds Methyl esters Acrylic acids and derivatives Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Secondary amines Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Anilide - 2,4-diamine-s-triazine - Benzoyl - N-arylamide - Aniline or substituted anilines - Aminotriazine - Amino-1,3,5-triazine - Chlorobenzene - Halobenzene - 1,3,5-triazine - Aryl chloride - Aryl halide - Triazine - Acrylic acid or derivatives - Heteroaromatic compound - Methyl ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available