Compound Identification
SMILES
CCOC(=O)[C@@H]1[C@H](C2=C(OC(=O)C3=CC=CC=C3)N(N=C2C[C@]1(C)O)C(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=XTSOUWMASYRAAV-NLVXVLGSSA-N
Formula
C31H28N2O6
Mass
524.573
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoyl derivatives
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Level 5
Benzoylpyrazoles
- Level 6 N-benzoylpyrazoles
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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
Benzoic acid esters Tertiary alcohols Pyrazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzoylpyrazole - Benzoate ester - Benzoic acid or derivatives - Azole - Heteroaromatic compound - Tertiary alcohol - Pyrazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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