Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylbutylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylbutylamines

Alternative Parents

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

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