Compound Identification
SMILES
COC(=O)C1CCN(CC1)C1=C(C(NC2=CC=C(C=C2)C(=O)OC)=NC=N1)[N+]([O-])=O
InChIKey
InChIKey=LSRZEARVHTZDAA-UHFFFAOYSA-N
Formula
C19H21N5O6
Mass
415.406
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
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
Piperidinecarboxylic acids Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Piperidinecarboxylic acid - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Imidolactam - Piperidine - Pyrimidine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Carbonyl group - Amine - Organic zwitterion - Hydrocarbon derivative - 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