Compound Identification
SMILES
CCOC1=C(OCC(=O)N2CCOCC2)C=CC(=C1)C(=O)OC(C)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QLWPEGSXAHNQDI-UHFFFAOYSA-N
Formula
C24H26ClN3O9
Mass
535.93
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
Anilides Nitrobenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives N-arylamides Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Morpholines Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - N-arylamide - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Tertiary carboxylic acid amide - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Dialkyl ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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