Compound Identification
SMILES
[Cl-].COC(=O)C1=CC=C(CNC(=O)NC2=C[N+](=NO2)C(C)CC2=CC=CC=C2)C=C1
InChIKey
InChIKey=KFBWDUGTINRTBE-UHFFFAOYSA-N
Formula
C21H23ClN4O4
Mass
430.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
-
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
Amphetamines and derivatives Phenylpropanes Benzoyl derivatives 1,2,3-oxadiazoles Heteroaromatic compounds Methyl esters Ureas Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic chloride salts Carbonyl compounds Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - Benzoate ester - Phenylpropane - Benzoyl - Azole - Oxadiazole - Heteroaromatic compound - 1,2,3-oxadiazole - Methyl ester - Carboxylic acid ester - Urea - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organopnictogen compound - Organic oxide - Organic chloride salt - Organic zwitterion - 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