2-[2,3-bis(bromanyl)propanoyl]-1-phenylmethoxycarbonyl-1,2-diazinane-3-carboxylate

Systemtic Name: 2-[2,3-bis(bromanyl)propanoyl]-1-phenylmethoxycarbonyl-1,2-diazinane-3-carboxylate Openeye Name: 1-benzyloxycarbonyl-2-(2,3-dibromopropanoyl)hexahydropyridazine-3-carboxylate CAS Name: 2-(2,3-dibromo-1-oxopropyl)-1-phenylmethoxycarbonyl-3-diazinanecarboxylate IUPAC Name: 2-(2,3-dibromopropanoyl)-1-phenylmethoxycarbonyldiazinane-3-carboxylate Traditional Name: 1-carbobenzoxy-2-(2,3-dibromopropanoyl)hexahydropyridazine-3-carboxylate Formula: C16H17Br2N2O5- MolecularWeight: 477.12458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CBr)Br)C(=O)[O-]

Isomeric SMILES

C1CC(N(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CBr)Br)C(=O)[O-]

InChI

InChI=1S/C16H18Br2N2O5/c17-9-12(18)14(21)20-13(15(22)23)7-4-8-19(20)16(24)25-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,22,23)/p-1