Compound Identification
SMILES
CC1CN(CC(C)O1)C1=NC=NC(N2CCCN(CC2)C(C)=O)=C1[N+]([O-])=O
InChIKey
InChIKey=CHLVRABRKNEGGV-UHFFFAOYSA-N
Formula
C17H26N6O4
Mass
378.433
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 1,4-diazepanes Aminopyrimidines and derivatives Imidolactams Morpholines Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Dialkylarylamine - 1,4-diazepane - Aminopyrimidine - Diazepane - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organic cation - 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