Compound Identification
SMILES
NNC(=O)C(=NNC1=CC(=CC=C1)[N+]([O-])=O)C#N
InChIKey
InChIKey=VPTLUSVGUIJHNJ-UHFFFAOYSA-N
Formula
C9H8N6O3
Mass
248.202
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Phenylhydrazines Nitroaromatic compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrazones Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Hydrazone - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Cyanide - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Aromatic homomonocyclic 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