Compound Identification
SMILES
[Cl-].CCOC(=O)OC[N+]1=CN(C[C@@](O)([C@@H](C)N2CCN(C2=O)C2=CC=C(C=C2)N2C=NN=N2)C2=C(F)C=C(F)C=C2)N=C1
InChIKey
InChIKey=NRNYKLRQVCABHA-QLJRNCDXSA-M
Formula
C26H28ClF2N9O5
Mass
620.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Tetrazoles
- Level 5 Phenyltetrazoles and derivatives
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Subclass
Tetrazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Tetrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
Phenylimidazolidines Phenylpropanes Fluorobenzenes Aryl fluorides Carbonic acid diesters Imidazolidinones Triazoles Tertiary alcohols Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Carbonyl compounds Organic zwitterions Organofluorides Organonitrogen compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylimidazolidine - Phenyltetrazole - Phenylpropane - Fluorobenzene - Halobenzene - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carbonic acid diester - Imidazolidinone - Heteroaromatic compound - 1,2,4-triazole - Tertiary alcohol - Imidazolidine - Urea - Carbonic acid derivative - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Aromatic alcohol - Organic zwitterion - Organic salt - Organic chloride salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors
Not available