Compound Identification
SMILES
CC1(C)OC2=C(C=C(C=C2)C#N)C(=C1)N1C=CC(CO[N+]([O-])=O)=CC1=O
InChIKey
InChIKey=PADAPMNSGLDVBI-UHFFFAOYSA-N
Formula
C18H15N3O5
Mass
353.334
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
Pyridinones Alkyl aryl ethers Dihydropyridines Benzenoids Alkyl nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Nitriles Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Dihydropyridine - Pyridinone - Hydropyridine - Pyridine - Benzenoid - Organic nitrate - Heteroaromatic compound - Alkyl nitrate - Lactam - Organic nitric acid or derivatives - Organic nitro compound - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organic salt - Organic oxide - Organic cation - 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