Compound Identification
SMILES
NC1=NON=C1N1N=NC(CN2CCCC2)=C1C(=O)NN\C=C1/C=C(Cl)C=CC1=O
InChIKey
InChIKey=FSZVQNHSDJPEGA-CSKARUKUSA-N
Formula
C17H18ClN9O3
Mass
431.84
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 N-alkylpyrrolidines Imidolactams Vinylogous amides Triazoles Furazans Heteroaromatic compounds Amino acids and derivatives Trialkylamines Carboxylic acid hydrazides Vinyl chlorides Azacyclic compounds Oxacyclic compounds Chloroalkenes Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Aralkylamine - Imidolactam - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Furazan - Oxadiazole - Pyrrolidine - Vinylogous amide - 1,2,3-triazole - Amino acid or derivatives - Carboxylic acid hydrazide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxide - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - 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