Compound Identification
SMILES
CCOC(=O)C1=CC=C(NC2=NC3=NON=C3N=C2NN\C=C2\C=C(C=CC2=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=HPQNNIDWZGKGKG-BENRWUELSA-N
Formula
C20H16N8O6
Mass
464.398
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
Aniline and substituted anilines Benzoyl derivatives O-quinomethanes Aminopyrazines Imidolactams Vinylogous amides Furazans Heteroaromatic compounds C-nitro compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Hydrazines and derivatives Organic salts Organic zwitterions Aldehydes Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - O-quinomethane - Quinomethane - Aniline or substituted anilines - Aminopyrazine - Imidolactam - Pyrazine - Heteroaromatic compound - Furazan - Azole - Vinylogous amide - Oxadiazole - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrazine derivative - Organic oxide - Organic salt - Aldehyde - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - Aromatic heteropolycyclic 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