Compound Identification
SMILES
CC1=NN(C(N)=S)C(=O)\C1=N/NC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=ZPEYKRSZWSEYPY-ZROIWOOFSA-N
Formula
C11H10N6O3S
Mass
306.3
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
Phenylhydrazines Nitroaromatic compounds Thiosemicarbazones Pyrazolones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Pyrazolinone - Thiosemicarbazone - Pyrazoline - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Hydrazone - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organic salt - Aromatic heteromonocyclic 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