Compound Identification
SMILES
CC1=CC=CC(\C=N/NC(=O)C2=NN(CC3=CC=C(Br)C=C3)C=C2[N+]([O-])=O)=N1
InChIKey
InChIKey=OESAVADKSPJVQY-UKWGHVSLSA-N
Formula
C18H15BrN6O3
Mass
443.261
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
Pyrazole-5-carboxamides Bromobenzenes Methylpyridines Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organobromides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organooxygen compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Pyrazole-5-carboxamide - Bromobenzene - Halobenzene - Methylpyridine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organobromide - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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