Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC2=C(OC(=O)OC3=CC=C(C=C3)[N+]([O-])=O)C=C3N(C[C@@H](CBr)C3=C12)C(=O)\C=C\C1=CC(N(C)C)=C(OC)C=C1

InChIKey

InChIKey=GEAYFIIGQIVWSZ-NBSXQYNISA-N

Formula

C33H31BrN4O9

Mass

707.534

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Pyrroloindoles

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloindoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Indolecarboxylic acid derivative - Pyrroloindole - Aminophenyl ether - Indole - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Pyrrole-3-carboxylic acid or derivatives - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Carbonic acid diester - Monocyclic benzene moiety - Pyrrole - Vinylogous amide - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - C-nitro compound - Carbonic acid derivative - Carboxylic acid ester - Organic nitro compound - Carboxamide group - Tertiary amine - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic salt - Organic oxide - Alkyl bromide - Alkyl halide - Organonitrogen compound - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

External Descriptors

Not available

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