Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(O1)C1NC2=CC=CC=C2C2=C(O1)N=C(SCC1=CC=CC=C1F)N=N2
InChIKey
InChIKey=NHWCOUWWZNHNBI-UHFFFAOYSA-N
Formula
C21H14FN5O4S
Mass
451.43
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
Nitroaromatic compounds Nitrofurans 1,3-oxazepines Alkylarylthioethers Fluorobenzenes 1,2,4-triazines Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Amines Organic zwitterions Hydrocarbon derivatives Organic salts Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Nitroaromatic compound - 2-nitrofuran - Meta-oxazepine - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Furan - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Sulfenyl compound - Oxacycle - Thioether - Organic 1,3-dipolar compound - Organic oxoazanium - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - 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