Compound Identification
SMILES
CN(C)[C@H](CNC=C1C=C(Cl)C=C(C1=O)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=NIGYTLDPEHRFSM-MRXNPFEDSA-N
Formula
C17H18ClN3O3
Mass
347.8
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 Benzene and substituted derivatives Vinylogous amides Trialkylamines C-nitro compounds Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Allylamines Organic oxoazanium compounds Chloroalkenes Enamines Dialkylamines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-quinomethane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - C-nitro compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Secondary aliphatic amine - Enamine - Allylamine - Organic oxoazanium - Secondary amine - Chloroalkene - Vinyl chloride - Vinyl halide - Haloalkene - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organic zwitterion - Amine - Organochloride - Organonitrogen compound - Organic salt - Aromatic homomonocyclic 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