Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N(C(=O)C2=NNC(C)=C12)C1=CC=C(C)C=C1
InChIKey
InChIKey=QQXYVCDNGJFOJM-UHFFFAOYSA-N
Formula
C21H19N3O3
Mass
361.401
Taxonomic Classification
Taxonomy Tree
-
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
Pyrrolopyrazoles 2-heteroaryl carboxamides Benzoyl derivatives Toluenes Tertiary carboxylic acid amides Pyrroles Pyrazoles Heteroaromatic compounds Methyl esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 2-heteroaryl carboxamide - Benzoyl - Pyrrolopyrazole - Toluene - Azole - Pyrazole - Pyrrole - Tertiary carboxylic acid amide - Methyl ester - Heteroaromatic compound - Lactam - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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