Compound Identification
SMILES
CCOC(=O)CCN(CC1=CC=CO1)C1=NC=NC(NCC2CC2)=C1[N+]([O-])=O
InChIKey
InChIKey=OXVFAIXUHFLUKF-UHFFFAOYSA-N
Formula
C18H23N5O5
Mass
389.412
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
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Subclass
Organic nitro compounds
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Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
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Level 5
C-nitro compounds
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Subclass
Organic nitro compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Furans Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - Pyrimidine - Imidolactam - Furan - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic salt - Amine - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available