Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(N\N=C2/C(=O)OC3C(COC23N=NC2=CC=C(C=C2)[N+]([O-])=O)OC(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=HUZWJXFUPLECBX-NUUIWSHISA-N
Formula
C25H18N6O9
Mass
546.452
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
Nitrobenzenes Benzoyl derivatives Furofurans Nitroaromatic compounds Phenylhydrazines Gamma butyrolactones Oxolanes Azo compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrazones Oxacyclic compounds Organic salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Furofuran - Phenylhydrazine - Gamma butyrolactone - Oxolane - Azo compound - Carboxylic acid ester - Organic nitro compound - Lactone - C-nitro compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrazone - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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