Compound Identification
SMILES
CN1N=C(O[C@H]2[C@@H](Cl)C(C)(C)OC3=C2C=C(C=C3)C#N)C=CC1=O
InChIKey
InChIKey=GTPJSLFIRIWGJR-HZPDHXFCSA-N
Formula
C17H16ClN3O3
Mass
345.78
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 2,2-dimethyl-1-benzopyrans
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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
2,2-dimethyl-1-benzopyrans
Alternative Parents
Pyridazinones Alkyl aryl ethers Benzenoids Heteroaromatic compounds Lactams Oxacyclic compounds Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Pyridazinone - Pyridazine - Benzenoid - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
External Descriptors
Not available