Compound Identification
SMILES
CC1=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=C(F)C=C2)=C(C)N1C1=CC=C(OC2=NC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=LDEVPQMSCUGJDO-UHFFFAOYSA-N
Formula
C28H20FN5O5S
Mass
557.56
Taxonomic Classification
Taxonomy Tree
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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
Diarylethers N-phenylthioureas Thiobarbituric acid derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Fluorobenzenes Pyridines and derivatives Aryl fluorides Diazinanes Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Carbonyl compounds Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diaryl ether - 1-phenylpyrrole - N-phenylthiourea - Thiobarbiturate - Phenoxy compound - Nitroaromatic compound - Phenol ether - Fluorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Aryl fluoride - Benzenoid - Pyridine - Heteroaromatic compound - Thiourea - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic salt - Hydrocarbon derivative - 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