Compound Identification
SMILES
CC1COC2(O1)N=C(N)C1(C#N)C(C3=CC(=CC=C3)[N+]([O-])=O)C21C#N
InChIKey
InChIKey=NZJXLXPGYMLHMW-UHFFFAOYSA-N
Formula
C16H13N5O4
Mass
339.311
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Tetrahydropyridines Imidolactams Pyrrolines 1,3-dioxolanes Orthocarboxylic acid derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxamidines Carboximidamides Organic oxoazanium compounds Nitriles Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Tetrahydropyridine - Imidolactam - Meta-dioxolane - Pyrroline - C-nitro compound - Orthocarboxylic acid derivative - Organic nitro compound - Amidine - Carboxylic acid amidine - Carbonitrile - Nitrile - Organic oxoazanium - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available