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

Systemtic Name: 4-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneamino]butanoate Openeye Name: 4-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)methyleneamino]butanoate CAS Name: 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]butanoate IUPAC Name: 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]butanoate Traditional Name: 4-[(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-yl)methyleneamino]butyrate Formula: C11H14N3O5- MolecularWeight: 268.24596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)C=NCCCC(=O)[O-]

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)C=NCCCC(=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)/p-1