Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C1=CC=C(Cl)C=C1)N1C=C(C=C(Br)Br)C(=O)NC1=O
InChIKey
InChIKey=VPMKJYBCCOPVEV-QKNQBKEWSA-N
Formula
C25H18Br2Cl2N2O7
Mass
689.13
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
4-halobenzoic acids and derivatives Benzoyl derivatives Pyrimidones Fatty acid esters Chlorobenzenes N-acyl amines Monosaccharides Hydropyrimidines Dicarboxylic acids and derivatives Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Enoate esters Dicarboximides Organic carbonic acids and derivatives Lactams Vinyl chlorides Vinyl bromides Oxacyclic compounds Chloroalkenes Bromoalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Pyrimidone - Halobenzene - Fatty acid ester - Chlorobenzene - Fatty acyl - Pyrimidine - N-acyl-amine - Monosaccharide - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Dicarboximide - Carbonic acid derivative - Lactam - Carboxylic acid ester - Oxacycle - Azacycle - Chloroalkene - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Vinyl bromide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen 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