Compound Identification
SMILES
C[NH+](CC1=C(N=NN1C1=NON=C1N)C(=O)NNC=C1C=C(Cl)C=CC1=O)C1CCCCC1
InChIKey
InChIKey=BWIVDVLJSPBMDK-UHFFFAOYSA-O
Formula
C20H25ClN9O3
Mass
474.93
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
Aralkylamines Cyclohexylamines Imidolactams Vinylogous amides Furazans Heteroaromatic compounds Triazoles Quaternary ammonium salts Carboxylic acid hydrazides Amino acids and derivatives Trialkylamines Azacyclic compounds Vinyl chlorides Oxacyclic compounds Chloroalkenes Organic oxides Hydrocarbon derivatives Organochlorides Primary amines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Cyclohexylamine - Aralkylamine - Imidolactam - Azole - Furazan - Oxadiazole - Quaternary ammonium salt - 1,2,3-triazole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid hydrazide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Primary amine - Organic oxide - Amine - Hydrocarbon derivative - Organic cation - 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