4-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneazaniumyl]butanoate

Systemtic Name: 4-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneazaniumyl]butanoate Openeye Name: 4-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)methyleneammonio]butanoate CAS Name: 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneammonio]butanoate IUPAC Name: 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneazaniumyl]butanoate Traditional Name: 4-[(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-yl)methyleneammonio]butyrate Formula: C11H15N3O5 MolecularWeight: 269.2539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)C=[NH+]CCCC(=O)[O-]

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)C=[NH+]CCCC(=O)[O-]

InChI

InChI=1S/C11H15N3O5/c1-13-9(17)7(10(18)14(2)11(13)19)6-12-5-3-4-8(15)16/h6-7H,3-5H2,1-2H3,(H,15,16)