bis(phenylmethyl) 2-[4,6-bis(chloranyl)pyrimidin-2-yl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[4,6-bis(chloranyl)pyrimidin-2-yl]propanedioate Openeye Name: dibenzyl 2-(4,6-dichloropyrimidin-2-yl)propanedioate CAS Name: 2-(4,6-dichloro-2-pyrimidinyl)propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(4,6-dichloropyrimidin-2-yl)propanedioate Traditional Name: 2-(4,6-dichloropyrimidin-2-yl)malonic acid dibenzyl ester Formula: C21H16Cl2N2O4 MolecularWeight: 431.26874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C2=NC(=CC(=N2)Cl)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C2=NC(=CC(=N2)Cl)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H16Cl2N2O4/c22-16-11-17(23)25-19(24-16)18(20(26)28-12-14-7-3-1-4-8-14)21(27)29-13-15-9-5-2-6-10-15/h1-11,18H,12-13H2