Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C#N)C(=O)N1N=CC1=CC=C(O1)[N+]([O-])=O

InChIKey

InChIKey=VBLALWAAIILXCK-UHFFFAOYSA-N

Formula

C13H10N4O4

Mass

286.247

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Furans

Subclass

Nitrofurans

Intermediate Tree Nodes

Not available

Direct Parent

Nitrofurans

Alternative Parents

3-pyridinecarbonitriles Nitroaromatic compounds Pyridinones Dihydropyridines Methylpyridines Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - 2-nitrofuran - 3-pyridinecarbonitrile - Dihydropyridine - Methylpyridine - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Cyanide - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro group.

External Descriptors

Not available

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