Compound Identification
SMILES
CCSC1=NC2=C(N=N1)C1=CC=CC=C1N([C@H](O2)C1=CC=CC=C1[N+]([O-])=O)C(C)=O
InChIKey
InChIKey=WSYNCRRWXNSKSS-LJQANCHMSA-N
Formula
C20H17N5O4S
Mass
423.45
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
Nitrobenzenes Nitroaromatic compounds 1,3-oxazepines Alkylarylthioethers 1,2,4-triazines Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Meta-oxazepine - Alkylarylthioether - Monocyclic benzene moiety - 1,2,4-triazine - Triazine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Thioether - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Organopnictogen compound - Carbonyl group - Organic salt - Organic oxide - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - 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