Compound Identification
SMILES
COC1=CC(=C\C(=C/NNC2=NC(=NC(=N2)N2CCOCC2)N2CCOCC2)C1=O)[N+]([O-])=O
InChIKey
InChIKey=UPYGYMVLMMOKTE-OUKQBFOZSA-N
Formula
C19H24N8O6
Mass
460.451
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
1,3,5-triazine-2,4-diamines Dialkylarylamines 1,3,5-triazines Morpholines Vinylogous amides Heteroaromatic compounds C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Dialkyl ethers Hydrazines and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - O-quinomethane - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Morpholine - Oxazinane - Triazine - 1,3,5-triazine - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Hydrazine derivative - Amine - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available