Compound Identification
SMILES
CCCCC(=O)C1=NOC(CCCC)=C1[N+]([O-])=O
InChIKey
InChIKey=PCHORMYYRXSGNP-UHFFFAOYSA-N
Formula
C12H18N2O4
Mass
254.286
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
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
-
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
Aryl alkyl ketones Isoxazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl ketone - Nitroaromatic compound - Aryl alkyl ketone - Azole - Isoxazole - Heteroaromatic compound - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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