Compound Identification
SMILES
CC1(C)OC2=C(C=CC(=C2)[N+]([O-])=O)C(NC2=NS(=O)(=O)C3=CC(Cl)=CN=C3N2)[C@@H]1O
InChIKey
InChIKey=ZMGAWBXNTHPZHT-KZUDCZAMSA-N
Formula
C17H16ClN5O6S
Mass
453.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
-
Subclass
1-benzopyrans
- Level 5 2,2-dimethyl-1-benzopyrans
-
Subclass
1-benzopyrans
-
Class
Benzopyrans
-
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
Nitroaromatic compounds Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Benzenoids Imidolactams Organosulfonic acids and derivatives Heteroaromatic compounds Secondary alcohols Guanidines Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organochlorides Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Nitroaromatic compound - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic nitro compound - Guanidine - Secondary alcohol - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Ether - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - Amine - 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