Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC(=O)N2CCCN(CC3=C(Cl)N(C)N=C3C)CC2)=C1)C(=O)OC
InChIKey
InChIKey=LMGJKIMAHFEIHQ-UHFFFAOYSA-N
Formula
C22H28ClN5O5
Mass
477.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
-
Level 6
Phthalate esters
- Level 7 m-Phthalate esters
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Level 6
Phthalate esters
-
Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
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
Phthalic acid and derivatives - Phthalate esters
Direct Parent
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives N-phenylureas Benzoic acid esters Benzoyl derivatives 1,4-diazepanes Aralkylamines Aryl chlorides Pyrazoles Methyl esters Heteroaromatic compounds Ureas Trialkylamines Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - N-phenylurea - Benzoate ester - Benzoyl - 1,4-diazepane - Diazepane - Aralkylamine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Methyl ester - Pyrazole - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Urea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available