Compound Identification
SMILES
O=C1C2=CC=CC=C2OC2=C(CN3C=CN=C3)C=CC(C#N)=C12
InChIKey
InChIKey=QNFMJFCMHIQSTD-UHFFFAOYSA-N
Formula
C18H11N3O2
Mass
301.305
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
-
Subclass
1-benzopyrans
- Level 5 Dibenzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans - Xanthenes
Direct Parent
Xanthones
Alternative Parents
Chromones Pyranones and derivatives N-substituted imidazoles Benzenoids Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthone - Chromone - Pyranone - N-substituted imidazole - Pyran - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
External Descriptors
Not available