Compound Identification
SMILES
CNC1=NC(NN\C=C2/C=CC=C(C2=O)[N+]([O-])=O)=NC(NC2=CC=CC=C2)=N1
InChIKey
InChIKey=MMICEEWHCNYPFK-ZHACJKMWSA-N
Formula
C17H16N8O3
Mass
380.368
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
-
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 Aniline and substituted anilines Secondary alkylarylamines N-aliphatic s-triazines 1,3,5-triazines Vinylogous amides Heteroaromatic compounds C-nitro compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Hydrazines and derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Aniline or substituted anilines - 2,4-diamine-s-triazine - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - Amino-1,3,5-triazine - Aminotriazine - 1,3,5-triazine - Monocyclic benzene moiety - Benzenoid - Triazine - Vinylogous amide - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Secondary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic nitrogen compound - Organonitrogen compound - Amine - Organic zwitterion - Hydrazine derivative - Organic salt - Organic oxide - Hydrocarbon derivative - 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