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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,4-bis(chloranyl)benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,4-dichlorobenzoate Traditional Name: 3,4-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=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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