Compound Identification
SMILES
COC(=O)C1=C(N)N(N=C1)C(=O)C1=C(Br)C=CC(OC)=C1
InChIKey
InChIKey=DTKQJXWLIUBVTC-UHFFFAOYSA-N
Formula
C13H12BrN3O4
Mass
354.16
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoyl derivatives
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Level 5
Benzoylpyrazoles
- Level 6 N-benzoylpyrazoles
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Level 5
Benzoylpyrazoles
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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
2-halobenzoic acids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Pyrazole carboxylic acids and derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Methyl esters Heteroaromatic compounds Vinylogous halides Vinylogous amides Amino acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpyrazole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Phenoxy compound - Phenol ether - Pyrazole-4-carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Vinylogous amide - Heteroaromatic compound - Pyrazole - Vinylogous halide - Azole - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organobromide - Organohalogen compound - 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