Compound Identification
SMILES
CCOC1=CC(=CC(=C1O)[N+]([O-])=O)C1NC2=CC=CC=C2C2=C(O1)N=C(SCC=C)N=N2
InChIKey
InChIKey=ZDBAFUIZTULTSK-UHFFFAOYSA-N
Formula
C21H19N5O5S
Mass
453.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Nitrophenyl ethers Nitrophenols Phenoxy compounds Phenol ethers Nitroaromatic compounds 1,3-oxazepines Alkyl aryl ethers Alkylarylthioethers 1,2,4-triazines Heteroaromatic compounds Allyl sulfur compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Amines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Benzoxazepine - Nitrophenol - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Phenol ether - Meta-oxazepine - Alkyl aryl ether - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Triazine - 1,2,4-triazine - Benzenoid - Heteroaromatic compound - Allyl sulfur compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Amine - Organic salt - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available