O3-tert-butyl O1-(phenylmethyl) 2-[3-bromanyl-2-(bromomethyl)propanoyl]-1,2-diazinane-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-(phenylmethyl) 2-[3-bromanyl-2-(bromomethyl)propanoyl]-1,2-diazinane-1,3-dicarboxylate Openeye Name: O1-benzyl O3-tert-butyl 2-[3-bromo-2-(bromomethyl)propanoyl]hexahydropyridazine-1,3-dicarboxylate CAS Name: 2-[3-bromo-2-(bromomethyl)-1-oxopropyl]diazinane-1,3-dicarboxylic acid O3-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 3-O-tert-butyl 2-[3-bromo-2-(bromomethyl)propanoyl]diazinane-1,3-dicarboxylate Traditional Name: 2-[3-bromo-2-(bromomethyl)propanoyl]hexahydropyridazine-1,3-dicarboxylic acid O1-benzyl ester O3-tert-butyl ester Formula: C21H28Br2N2O5 MolecularWeight: 548.26542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN(N1C(=O)C(CBr)CBr)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN(N1C(=O)C(CBr)CBr)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28Br2N2O5/c1-21(2,3)30-19(27)17-10-7-11-24(25(17)18(26)16(12-22)13-23)20(28)29-14-15-8-5-4-6-9-15/h4-6,8-9,16-17H,7,10-14H2,1-3H3