methyl 3-phenyl-3-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]propanoate

Systemtic Name: methyl 3-phenyl-3-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]propanoate Openeye Name: methyl 3-phenyl-3-(2,4,6-trioxohexahydropyrimidin-5-yl)propanoate CAS Name: 3-phenyl-3-(2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-(2,4,6-trioxo-1,3-diazinan-5-yl)propanoate Traditional Name: 3-phenyl-3-(2,4,6-triketohexahydropyrimidin-5-yl)propionic acid methyl ester Formula: C14H14N2O5 MolecularWeight: 290.27136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1C(=O)NC(=O)NC1=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(C1C(=O)NC(=O)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O5/c1-21-10(17)7-9(8-5-3-2-4-6-8)11-12(18)15-14(20)16-13(11)19/h2-6,9,11H,7H2,1H3,(H2,15,16,18,19,20)