Compound Identification
SMILES
NC1=C(C#N)C2(C(=O)N(CC(O)=O)C3=CC=CC=C23)C2=C(NN=C2O1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=RCMBLIRYAYOMCH-UHFFFAOYSA-N
Formula
C22H14BrN5O4
Mass
492.289
Taxonomic Classification
Taxonomy Tree
-
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Alpha amino acids and derivatives Indoles and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Ketene acetals Nitriles Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Alpha-amino acid or derivatives - Indole or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Lactam - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Azacycle - Organooxygen compound - Amine - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organobromide - Organonitrogen 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