Compound Identification
SMILES
NC1=NC(NC2=CC=CC=C2)=NC(N2CCOCC2)=C1[N+]([O-])=O
InChIKey
InChIKey=CHFYKUKTQWPKSI-UHFFFAOYSA-N
Formula
C14H16N6O3
Mass
316.321
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
Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Morpholines Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Primary amines Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary amine - Organic oxygen compound - Organic zwitterion - Amine - Organic nitrogen compound - Organic salt - 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