Compound Identification
SMILES
O[N+]([O-])=O.[O-][N+](=O)C1=CC=C(OCC2COC(CCC3=CC=C(Cl)C=C3)(CN3C=CN=C3)O2)C=C1
InChIKey
InChIKey=BBFPMGYANRUKBC-UHFFFAOYSA-N
Formula
C22H23ClN4O8
Mass
506.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Nitrophenyl ethers Phenoxy compounds Phenol ethers Nitroaromatic compounds Ketals Alkyl aryl ethers Chlorobenzenes N-substituted imidazoles Aryl chlorides 1,3-dioxolanes Heteroaromatic compounds Organic nitrates Organic nitric acids Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Phenylbutylamine - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Halobenzene - Chlorobenzene - Ketal - N-substituted imidazole - Aryl chloride - Aryl halide - Meta-dioxolane - Imidazole - Organic nitrate - Heteroaromatic compound - Azole - Organic nitric acid or derivatives - Organic nitro compound - C-nitro compound - Organic nitric acid - Acetal - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available