Compound Identification
SMILES
CC1=C(CCOC(=O)C2=C(Cl)C=C(Cl)C=C2)C(=O)N2NC=C(C#N)C2=N1
InChIKey
InChIKey=QYCBZTHHTWTUBB-UHFFFAOYSA-N
Formula
C17H12Cl2N4O3
Mass
391.21
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
2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Pyrazolo[1,5-a]pyrimidines Benzoyl derivatives Dichlorobenzenes Pyrimidones Aryl chlorides Vinylogous halides Pyrazoles Heteroaromatic compounds Carboxylic acid esters Lactams Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous halide - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Cyanide - Organooxygen compound - Organic oxygen compound - 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