2-cyano-3-[5,5-diethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]propanoic acid

Systemtic Name: 2-cyano-3-[5,5-diethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]propanoic acid Openeye Name: 2-cyano-3-(5,5-diethyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)propanoic acid CAS Name: 2-cyano-3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)propanoic acid IUPAC Name: 2-cyano-3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)propanoic acid Traditional Name: 2-cyano-3-(5,5-diethyl-2,4,6-triketo-hexahydropyrimidin-1-yl)propionic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)N(C1=O)CC(C#N)C(=O)O)CC

Isomeric SMILES

CCC1(C(=O)NC(=O)N(C1=O)CC(C#N)C(=O)O)CC

InChI

InChI=1S/C12H15N3O5/c1-3-12(4-2)9(18)14-11(20)15(10(12)19)6-7(5-13)8(16)17/h7H,3-4,6H2,1-2H3,(H,16,17)(H,14,18,20)