Compound Identification
SMILES
CN1N=C(C)C([N+]#N)=C1NC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=OPUZWVOVLUSGJZ-UHFFFAOYSA-O
Formula
C12H11N6O3
Mass
287.258
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
Benzamides Nitroaromatic compounds Benzoyl derivatives Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic diazonium salts Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Azole - Heteroaromatic compound - Pyrazole - Carboxamide group - Organic nitro compound - C-nitro compound - Organic diazonium salt - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - 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