Compound Identification
SMILES
CCOC(=O)C1=CN=C2N(N=CC2=C1NC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=QSIOYKRYPPHWPQ-UHFFFAOYSA-N
Formula
C21H17N5O4
Mass
403.398
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
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Subclass
Pyrazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Pyridinecarboxylic acids Pyrazolopyridines Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Aminopyridines and derivatives Primary aromatic amines Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Nitrobenzene - Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Nitroaromatic compound - Aniline or substituted anilines - Aminopyridine - Monocyclic benzene moiety - Primary aromatic amine - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Secondary amine - Azacycle - Amine - Organic oxygen compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available