Compound Identification
SMILES
COC1=CC=CC(=C1)C1=NN(C(=C1)C(=O)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QTFXERVEKWSYSM-UHFFFAOYSA-N
Formula
C29H27N5O6
Mass
541.564
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
Benzodioxoles Nitrobenzenes Pyrazole-5-carboxamides 2-heteroaryl carboxamides Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Acetals Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Benzodioxole - Nitrobenzene - 2-heteroaryl carboxamide - Phenoxy compound - Nitroaromatic compound - Anisole - Pyrazole-5-carboxamide - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Piperazine - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - C-nitro compound - Amino acid or derivatives - Organic nitro compound - Acetal - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organopnictogen compound - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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