[(4R,5R)-5-bromanyl-1,3,5-trimethyl-2,6-bis(oxidanylidene)-1,3-diazinan-4-yl] but-2-ynoate

Systemtic Name: [(4R,5R)-5-bromanyl-1,3,5-trimethyl-2,6-bis(oxidanylidene)-1,3-diazinan-4-yl] but-2-ynoate Openeye Name: [(4R,5R)-5-bromo-1,3,5-trimethyl-2,6-dioxo-hexahydropyrimidin-4-yl] but-2-ynoate CAS Name: 2-butynoic acid [(4R,5R)-5-bromo-1,3,5-trimethyl-2,6-dioxo-1,3-diazinan-4-yl] ester IUPAC Name: [(4R,5R)-5-bromo-1,3,5-trimethyl-2,6-dioxo-1,3-diazinan-4-yl] but-2-ynoate Traditional Name: but-2-ynoic acid [(4R,5R)-5-bromo-2,6-diketo-1,3,5-trimethyl-hexahydropyrimidin-4-yl] ester Formula: C11H13BrN2O4 MolecularWeight: 317.13592

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)OC1C(C(=O)N(C(=O)N1C)C)(C)Br

Isomeric SMILES

CC#CC(=O)O[C@@H]1[C@@](C(=O)N(C(=O)N1C)C)(C)Br

InChI

InChI=1S/C11H13BrN2O4/c1-5-6-7(15)18-9-11(2,12)8(16)13(3)10(17)14(9)4/h9H,1-4H3/t9-,11+/m1/s1