Compound Identification
SMILES
C[NH+]1CCN(CC1)C(=O)CN1N=C(C(Br)=C1C)[N+]([O-])=O
InChIKey
InChIKey=VPHYIXVPASWJLK-UHFFFAOYSA-O
Formula
C11H17BrN5O3
Mass
347.192
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
N-methylpiperazines Aryl bromides Imidolactams Tertiary carboxylic acid amides Quaternary ammonium salts Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Organic oxoazanium compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - N-methylpiperazine - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Imidolactam - Azole - Pyrazole - Quaternary ammonium salt - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organobromide - Organonitrogen compound - Organohalogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - 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