Compound Identification
SMILES
COC(OC)[C@@]1(C)OC2=C(C=C(C=C2)C#N)[C@@H](N=C(NC#N)NC2=CC=C(Cl)C=C2)[C@@H]1O
InChIKey
InChIKey=FXOXPJCAPKPJNM-DXIQSLLYSA-N
Formula
C22H22ClN5O4
Mass
455.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
- Subclass 1-benzopyrans
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Class
Benzopyrans
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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
Chlorobenzenes Alkyl aryl ethers Aryl chlorides Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Carboximidamides Acetals Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Guanidine - Secondary alcohol - Acetal - Ether - Oxacycle - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - 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