Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(COC2=C(Br)C=C(C=NNC(=O)C3=C(Cl)N=CC=C3)C=C2)C=C1
InChIKey
InChIKey=LDKBDGHHMNYCJL-UHFFFAOYSA-N
Formula
C20H14BrClN4O4
Mass
489.71
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Pyridinecarboxylic acids and derivatives
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Level 5
Pyridinecarboxamides
- Level 6 Nicotinamides
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Level 5
Pyridinecarboxamides
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Subclass
Pyridinecarboxylic acids and derivatives
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxamides
Direct Parent
Nicotinamides
Alternative Parents
Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds 2-halopyridines Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Vinylogous halides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nicotinamide - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - 2-halopyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organohalogen compound - Organic salt - Organobromide - Organochloride - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
External Descriptors
Not available