Compound Identification
SMILES
CCOC(=O)C(=O)CC1=C(C(OCC)=NC(OCC)=N1)[N+]([O-])=O
InChIKey
InChIKey=FZHPUHZBNFUQMM-UHFFFAOYSA-N
Formula
C13H17N3O7
Mass
327.293
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
Alkyl aryl ethers Fatty acid esters Pyrimidines and pyrimidine derivatives Alpha-keto acids and derivatives Heteroaromatic compounds Carboxylic acid esters Ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Alkyl aryl ether - Fatty acid ester - Alpha-keto acid - Keto acid - Fatty acyl - Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic zwitterion - Organic oxygen compound - 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