Compound Identification
SMILES
CC1=C(C=C(NC(=O)COC(=O)C=CC2=CN(N=C2C2=CC3=C(OCCO3)C=C2)C2=CC=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=LKLXBFOKNGMDEJ-UHFFFAOYSA-N
Formula
C29H24N4O7
Mass
540.532
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
Benzo-1,4-dioxanes Anilides Nitrobenzenes Nitrotoluenes N-arylamides Nitroaromatic compounds Alkyl aryl ethers Fatty acid esters Para dioxins Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Benzo-1,4-dioxane - Benzodioxane - Nitrobenzene - Anilide - Nitrotoluene - Nitroaromatic compound - N-arylamide - Alkyl aryl ether - Fatty acid ester - Toluene - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Organic zwitterion - Carbonyl group - Organic salt - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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