Compound Identification
SMILES
CN1N=C(C(C(C#N)C2=CC=CC=N2)=C(Cl)C1=O)[N+]([O-])=O
InChIKey
InChIKey=ZYSJYQBAWUHFAF-UHFFFAOYSA-N
Formula
C12H8ClN5O3
Mass
305.68
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
Pyridazinones Pyridines and derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Nitriles Organic oxoazanium compounds Organic zwitterions Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Pyridazinone - Aryl chloride - Aryl halide - Pyridazine - Pyridine - Imidolactam - Heteroaromatic compound - Lactam - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organic zwitterion - Organic salt - Organic nitrogen 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