Compound Identification
SMILES
CC1=CC2=C(O)C(CN3C=CC(=O)N(CC4=CC(=CC(CN5C(=O)C=CN(C2)C5=O)=C4O)[N+]([O-])=O)C3=O)=C1
InChIKey
InChIKey=ACTUJAGJZQIYHH-UHFFFAOYSA-N
Formula
C25H21N5O8
Mass
519.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
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Subclass
Organic nitro compounds
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Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
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Level 5
C-nitro compounds
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Subclass
Organic nitro compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Pyrimidones Phenols Vinylogous amides Heteroaromatic compounds Ureas Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroaromatic compound - Phenol - Pyrimidone - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available