Compound Identification
SMILES
CSC1=NC2=C(N=N1)C1=CC=CC=C1NC(O2)C1=CC(Cl)=CC(=C1O)[N+]([O-])=O
InChIKey
InChIKey=JCRKXBOSSOPDMS-UHFFFAOYSA-N
Formula
C17H12ClN5O4S
Mass
417.82
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
Nitrophenols Nitrobenzenes P-chlorophenols Nitroaromatic compounds 1,3-oxazepines Alkylarylthioethers Chlorobenzenes 1,2,4-triazines Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Amines Organic zwitterions Hydrocarbon derivatives Organic salts Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Nitrophenol - Nitrobenzene - 4-chlorophenol - Aryl thioether - Nitroaromatic compound - 4-halophenol - Phenol - Meta-oxazepine - Alkylarylthioether - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Triazine - Aryl chloride - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Thioether - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organohalogen compound - Organochloride - Amine - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - 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