Compound Identification
SMILES
CCC1=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C(=NN1)C(O)=O)C(O)=O
InChIKey
InChIKey=MTMMQEWESIFXQJ-UHFFFAOYSA-N
Formula
C14H13N3O6
Mass
319.273
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 Pyridazines and derivatives Dicarboxylic acids and derivatives Vinylogous amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Carboxylic acids Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dicarboxylic acid or derivatives - Pyridazine - Vinylogous amide - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Hydrazone - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Carbonyl group - 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