Compound Identification
SMILES
O=C(C(=CC1=CC=CO1)C#N)C1=CC=CO1
InChIKey
InChIKey=JMLKLNIGDBIHNQ-UHFFFAOYSA-N
Formula
C12H7NO3
Mass
213.192
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Aryl ketones
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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
Direct Parent
Aryl ketones
Alternative Parents
Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Furans Enones Acryloyl compounds Oxacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl ketone - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Furan - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Nitrile - Organoheterocyclic compound - Oxacycle - Carbonitrile - Cyanide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available