Compound Identification
SMILES
COC1=C(C)C2=C(C(=O)OC2)C(NC(=O)C(Cl)(Cl)Cl)=C1C\C=C(/C)CC(CCN1CCNC1)C(O)=O
InChIKey
InChIKey=BZTGEYYOISXGNT-YIXHJXPBSA-N
Formula
C24H30Cl3N3O6
Mass
562.87
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isocoumarans
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Subclass
Isobenzofuranones
- Level 5 Phthalides
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Subclass
Isobenzofuranones
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Class
Isocoumarans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalides
Alternative Parents
Methoxyanilines Anisoles Medium-chain fatty acids N-arylamides Alkyl aryl ethers Halogenated fatty acids Heterocyclic fatty acids Methyl-branched fatty acids Unsaturated fatty acids Vinylogous amides Imidazolidines Lactones Carboxylic acid esters Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Azacyclic compounds Aminals Monocarboxylic acids and derivatives Alkyl chlorides Hydrocarbon derivatives Organochlorides Carbonyl compounds Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Methoxyaniline - Anisole - Phenol ether - Medium-chain fatty acid - N-arylamide - Alkyl aryl ether - Branched fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Methyl-branched fatty acid - Fatty acyl - Unsaturated fatty acid - Fatty acid - Benzenoid - Imidazolidine - Vinylogous amide - Secondary carboxylic acid amide - Lactone - Carboxamide group - Carboxylic acid ester - Aminal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
External Descriptors
Not available