[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-bis(chloranyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-bis(chloranyl)benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dichlorobenzoate CAS Name: 2,3-dichlorobenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dichlorobenzoate Traditional Name: 2,3-dichlorobenzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C17H16Cl2N4O3 MolecularWeight: 395.23994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C17H16Cl2N4O3/c18-13-4-1-3-12(15(13)19)16(25)26-11-14(24)22-7-9-23(10-8-22)17-20-5-2-6-21-17/h1-6H,7-11H2