Compound Identification
SMILES
COC1=CC2=C(C=C1)C(C1=CC(Cl)=CN=C1)C(C#N)=C(N)O2
InChIKey
InChIKey=DCJYKOXTBWYZAY-UHFFFAOYSA-N
Formula
C16H12ClN3O2
Mass
313.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
- 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
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Ketene acetal or derivatives - Ether - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available