Compound Identification
SMILES
CCN(CC)C1=CC(=O)\C(=C/NNC(=O)C2=C(Cl)C=NN2C)C=C1
InChIKey
InChIKey=IYFXDCPZJDXVEV-LUAWRHEFSA-N
Formula
C16H20ClN5O2
Mass
349.82
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
Pyrazole-5-carboxamides Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Trialkylamines Carboxylic acid hydrazides Amino acids and derivatives Enamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-5-carboxamide - O-quinomethane - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Vinylogous amide - Vinylogous halide - Pyrazole - Amino acid or derivatives - Carboxylic acid hydrazide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Enamine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - 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