Compound Identification
SMILES
CC1=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C(=C(C)N1)[N+]([O-])=O)C(=O)OCCBr
InChIKey
InChIKey=VTYAOZCTQUZILX-UHFFFAOYSA-N
Formula
C16H16BrN3O6
Mass
426.223
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
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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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
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Vinylogous amides Enoate esters Azacyclic compounds Dialkylamines Enamines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organic salts Organic oxides Alkyl bromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Alkyl bromide - Organic oxygen compound - Alkyl halide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
External Descriptors
Not available