Compound Identification
SMILES
[O-][N+](=O)C1=CC(=C(N\N=C/C(OC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C(COC(=O)C2=CC=CC=C2)OC(=O)C2=CC=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=OAVHNTMPUUFYPO-FZSDHLTPSA-N
Formula
C39H30N4O12
Mass
746.685
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Phenylhydrazines Nitroaromatic compounds Benzoyl derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylhydrazine - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Hydrazone - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic oxide - Organic nitrogen compound - Aromatic homomonocyclic 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