Compound Identification
SMILES
CCOC(=O)C1=CC=C(N\C([O-])=N\C2=C[N+](=NO2)C(C)CC2=CC=CC=C2)C=C1
InChIKey
InChIKey=HYMGLHKUZQRPTB-UHFFFAOYSA-N
Formula
C21H22N4O4
Mass
394.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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 Carboxylic acid esters Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - Benzoate ester - Phenylpropane - Benzoyl - Azole - Heteroaromatic compound - Oxadiazole - 1,2,3-oxadiazole - Carboxylic acid ester - Isourea - Carboximidic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - 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