Compound Identification
SMILES
CC1=NC(COCCC[N-][N+]#N)=C(C(C1)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=BFIAXPKXXKYAEY-UHFFFAOYSA-N
Formula
C17H19N5O5
Mass
373.369
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 Dihydropyridines Azo compounds Azo imides Ketimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Dialkyl ethers Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Hydropyridine - Azo compound - Azo imide - Ketimine - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Imine - 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