Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC(=CC3=C(C)N(C(C)=C3)C3=CC(Br)=C(C)C=C3)C(=O)N2C1C1=CC(=C(C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=SEZHOFSLRXVYTD-UHFFFAOYSA-N
Formula
C31H29BrN4O5S
Mass
649.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Nitrobenzenes Nitrotoluenes Halotoluenes Nitroaromatic compounds Bromobenzenes Aryl bromides Enoate esters Heteroaromatic compounds Thiazoles Isothioureas Lactams Monocarboxylic acids and derivatives Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Halotoluene - Toluene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Thiazole - Heteroaromatic compound - Azole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Organic nitro compound - Isothiourea - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic salt - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic 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