Compound Identification
SMILES
CC1=C(Br)C(=NN1CC(=O)N1CCN(CC1)C12CC3CC(CC(C3)C1)C2)[N+]([O-])=O
InChIKey
InChIKey=MGXIPEDNGLURJP-UHFFFAOYSA-N
Formula
C20H28BrN5O3
Mass
466.38
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-alkylpiperazines Aryl bromides Imidolactams Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroaromatic compound - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Imidolactam - Azole - Pyrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organobromide - Organic oxygen compound - Organohalogen compound - Organic oxide - Organic salt - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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