Compound Identification
SMILES
COCCN(CCOC)C1=NC=NC(NNC(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C1[N+]([O-])=O
InChIKey
InChIKey=GPRNQFQXGWXMGF-UHFFFAOYSA-N
Formula
C17H21N7O7
Mass
435.397
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
Benzoic acids and derivatives Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dialkylarylamine - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen 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