Compound Identification
SMILES
NC1=C(C(NCCO)=NC(NCCN2CCOCC2)=N1)[N+]([O-])=O
InChIKey
InChIKey=SRKSVBCTLRCHNO-UHFFFAOYSA-N
Formula
C12H21N7O4
Mass
327.345
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
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
Aminopyrimidines and derivatives Imidolactams Morpholines Heteroaromatic compounds Trialkylamines Alkanolamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organic oxoazanium compounds Primary alcohols Primary amines Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aminopyrimidine - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Alkanolamine - Dialkyl ether - Ether - Organic oxoazanium - Organic salt - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Amine - Organic zwitterion - 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