Compound Identification
SMILES
[2H]C1=C([2H])C([2H])=C(C(Cl)=C1[2H])C1([2H])C(C(=O)OC([2H])([2H])[2H])=C(NC(=C1C(=O)OC([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])N)C([2H])([2H])[2H]
InChIKey
InChIKey=HTIQEAQVCYTUBX-LXWWQOSBSA-N
Formula
C20H25ClN2O5
Mass
431.01
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
Halobenzenes
- Level 5 Chlorobenzenes
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Subclass
Halobenzenes
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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
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Dihydropyridines Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives Azacyclic compounds Dialkyl ethers Dialkylamines Enamines Organic oxides Organochlorides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Dihydropyridine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Azacycle - Ether - Enamine - Amine - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available