Compound Identification
SMILES
OCC1=C(Br)C(=O)C(OCC2=CC=CC=C2)=C[NH+]1[O-]
InChIKey
InChIKey=NCXCMRILKKFNGF-UHFFFAOYSA-N
Formula
C13H12BrNO4
Mass
326.146
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Not available
Direct Parent
Dihydropyridines
Alternative Parents
Benzene and substituted derivatives Alpha-haloketones Disubstituted amine oxides and derivatives Cyclic ketones Vinyl bromides Bromoalkenes Azacyclic compounds Primary alcohols Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridine - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Ketone - Disubstituted n-oxide - Cyclic ketone - N-oxide - Vinyl bromide - Vinyl halide - Azacycle - Bromoalkene - Haloalkene - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic salt - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
External Descriptors
Not available