[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3,4,5-tris(chloranyl)pyridine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3,4,5-tris(chloranyl)pyridine-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate CAS Name: 3,4,5-trichloro-2-pyridinecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate Traditional Name: 3,4,5-trichloropicolinic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C18H16Cl3N3O3 MolecularWeight: 428.69694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl

InChI

InChI=1S/C18H16Cl3N3O3/c19-13-10-22-17(16(21)15(13)20)18(26)27-11-14(25)24-8-6-23(7-9-24)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2