Compound Identification
SMILES
NC(=O)CCCC(O)=O.COC(=O)C1=C(C)N2C(C)=C2C1C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=JCGNXKUBHHVMSG-UHFFFAOYSA-N
Formula
C20H23N3O7
Mass
417.418
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Dihydropyridines Straight chain fatty acids Fatty amides Vinylogous amides Pyrroles Enoate esters Methyl esters Amino acids and derivatives Trialkylamines Primary carboxylic acid amides Monocarboxylic acids and derivatives Azirines Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Not available
Substituents
3-phenylpyrroline - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Monocyclic benzene moiety - Straight chain fatty acid - Fatty acyl - Fatty acid - Fatty amide - Benzenoid - Pyrrole - Methyl ester - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - C-nitro compound - Organic nitro compound - Primary carboxylic acid amide - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azirine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Enamine - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Amine - Organic oxygen compound - Organic salt - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available