Compound Identification
SMILES
COC(=O)CCCC\C(NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)=C1/NC(=O)N=C1C
InChIKey
InChIKey=IJHZZNZAUVJFDP-DTQAZKPQSA-N
Formula
C17H20N6O7
Mass
420.382
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 Imidazolyl carboxylic acids and derivatives Fatty acid methyl esters Imidazolines Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Hydrazines and derivatives Organic salts Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Phenylhydrazine - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - 3-imidazoline - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrazine derivative - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic oxygen compound - 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