Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(C)=C(C1C(=O)OCC(=O)C1=C(C)N(C(C)=C1)C1=CC=C(Br)C=C1)C(=O)OCC
InChIKey
InChIKey=GQOSGYRSUJNXDW-UHFFFAOYSA-N
Formula
C28H31BrN2O7
Mass
587.467
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Tricarboxylic acids and derivatives Dihydropyridinecarboxylic acids and derivatives Aryl alkyl ketones Bromobenzenes Alpha-acyloxy ketones Aryl bromides Vinylogous amides Heteroaromatic compounds Enoate esters Enamines Dialkylamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Tricarboxylic acid or derivatives - Dihydropyridinecarboxylic acid derivative - Aryl ketone - Aryl alkyl ketone - Alpha-acyloxy ketone - Halobenzene - Dihydropyridine - Bromobenzene - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Aryl halide - Aryl bromide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Carboxylic acid ester - Ketone - Enamine - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - 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