Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(C=C1)N1C(C)=CC(C(=O)COC2=C(N=C(C)C=C2)[N+]([O-])=O)=C1C

InChIKey

InChIKey=BNABHCLJJLVJNO-UHFFFAOYSA-N

Formula

C22H21N3O6

Mass

423.425

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

Benzoic acid esters Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Methylpyridines Imidolactams Vinylogous amides Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic salts

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylpyrrole - Benzoate ester - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - Imidolactam - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

Previous Back Next