Compound Identification
SMILES
COC(=O)C1=CC(OC(F)(F)F)=C(Br)C=C1Br.NC(N)=NC(=O)C1=CC(OC(F)(F)F)=C(Br)C=C1Br
InChIKey
InChIKey=ICEVJFWSFTUCQO-UHFFFAOYSA-N
Formula
C18H11Br4F6N3O5
Mass
782.908
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
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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 Phenoxy compounds Phenol ethers Benzoyl derivatives Acylguanidines Bromobenzenes Aryl bromides Vinylogous halides Methyl esters Trihalomethanes Carboximidamides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organobromides Organofluorides Organooxygen compounds Alkyl fluorides Organic oxides
Molecular Framework
Not available
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Phenol ether - Phenoxy compound - Benzoyl - Halobenzene - Acylguanidine - Bromobenzene - Aryl halide - Aryl bromide - Methyl ester - Vinylogous halide - Guanidine - Trihalomethane - Carboxylic acid ester - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organooxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic 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