Compound Identification
SMILES
CC1=NOC(\C=C\NC2=CC=C(Cl)C=C2)=C1[N+]([O-])=O
InChIKey
InChIKey=IPVPPKKMLPNYIG-VOTSOKGWSA-N
Formula
C12H10ClN3O3
Mass
279.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
-
Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
-
Level 5
C-nitro compounds
-
Subclass
Organic nitro compounds
-
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
Aniline and substituted anilines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Isoxazoles Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Enamines Organic oxoazanium compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organopnictogen compounds Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Enamine - Oxacycle - Azacycle - Organic oxoazanium - Secondary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic salt - 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