Compound Identification
SMILES
CC1=NN(C(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)C(C)=C1SC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=RDAANHMJSBHMQE-UHFFFAOYSA-N
Formula
C18H13N5O7S
Mass
443.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoyl derivatives
-
Level 5
Benzoylpyrazoles
- Level 6 N-benzoylpyrazoles
-
Level 5
Benzoylpyrazoles
-
Subclass
Benzoyl derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Benzoylpyrazoles
Direct Parent
N-benzoylpyrazoles
Alternative Parents
Diarylthioethers Benzoic acids and derivatives Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Pyrazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpyrazole - Diarylthioether - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Azole - Heteroaromatic compound - Pyrazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzoylpyrazoles. These are aromatic heterocyclic compounds containing a pyrazole ring that is N-substituted at the 1-position by a benzoyl group.
External Descriptors
Not available