Compound Identification
SMILES
CCOC1=C(C=C(C=C1)[N+]([O-])=O)C1NC2=CC=CC=C2C2=C(O1)N=C(SCC1=CC=CC=C1F)N=N2
InChIKey
InChIKey=PPXCLEIRMCXKJJ-UHFFFAOYSA-N
Formula
C25H20FN5O4S
Mass
505.52
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 Phenoxy compounds Phenol ethers Nitroaromatic compounds 1,3-oxazepines Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes 1,2,4-triazines Aryl fluorides Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organofluorides Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Benzoxazepine - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Phenol ether - Meta-oxazepine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Azacycle - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Oxacycle - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Amine - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - Organic salt - 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