Compound Identification
SMILES
CCCCN1C(C)=C(C(=O)OC)C(=C1C)C1=CC(=C(N)C=C1)[N+]([O-])=O
InChIKey
InChIKey=VHIQBQGLONHFPD-UHFFFAOYSA-N
Formula
C18H23N3O4
Mass
345.399
Taxonomic Classification
Taxonomy Tree
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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 Pyrrole carboxylic acids and derivatives Aniline and substituted anilines Nitroaromatic compounds Vinylogous amides Heteroaromatic compounds Methyl esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrole - Nitrobenzene - Nitroaromatic compound - Pyrrole-3-carboxylic acid or derivatives - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Vinylogous amide - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organic oxide - Amine - Primary amine - Hydrocarbon derivative - Organic oxygen compound - 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