Compound Identification
SMILES
COCC1=C(C#N)C(=O)NC(C=CC2=CC=C(O2)C2=CC(Cl)=C(C)C=C2)=C1[N+]([O-])=O
InChIKey
InChIKey=KESOQXXNBVRPIB-UHFFFAOYSA-N
Formula
C21H16ClN3O5
Mass
425.83
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
3-pyridinecarbonitriles Toluenes Pyridinones Chlorobenzenes Dihydropyridines Aryl chlorides Furans Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Nitriles Organic zwitterions Organic salts Hydrocarbon derivatives Organopnictogen compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - 3-pyridinecarbonitrile - Chlorobenzene - Dihydropyridine - Halobenzene - Pyridinone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Pyridine - Benzenoid - Heteroaromatic compound - Furan - Lactam - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic oxoazanium - Carbonitrile - Nitrile - Organic zwitterion - Organohalogen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - 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