Compound Identification
SMILES
CC1=C(C=CC(COC2=CC3=C(OC[C@H](CC4=CN=CC=C4)[C@@H]3O)C=C2)=N1)[N+]([O-])=O
InChIKey
InChIKey=VDFPZVOQINDCHD-AOMKIAJQSA-N
Formula
C22H21N3O5
Mass
407.426
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
Phenol ethers Nitroaromatic compounds Methylpyridines Alkyl aryl ethers Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Secondary alcohol - Organic nitro compound - Ether - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - 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