Compound Identification
SMILES
CCOC(=O)N1CCC(CC1)=C1C2=CC(=C(Cl)C=C2CCC2=CC(Br)=CN=C12)[N+]([O-])=O
InChIKey
InChIKey=TXCNUXVXAYESPK-UHFFFAOYSA-N
Formula
C22H21BrClN3O4
Mass
506.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzocycloheptapyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzocycloheptapyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzocycloheptapyridines
Alternative Parents
Piperidinecarboxylic acids Nitroaromatic compounds Pyridines and derivatives Aryl bromides Aryl chlorides Benzenoids Carbamate esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organobromides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - Piperidinecarboxylic acid - Nitroaromatic compound - Aryl bromide - Aryl chloride - Aryl halide - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.
External Descriptors
Not available