methyl 2-[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)-1,3-diazinan-4-yl]ethanoate

Systemtic Name: methyl 2-[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)-1,3-diazinan-4-yl]ethanoate Openeye Name: methyl 2-(1,3-dimethyl-5-nitro-2,6-dioxo-hexahydropyrimidin-4-yl)acetate CAS Name: 2-(1,3-dimethyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl)acetic acid methyl ester IUPAC Name: methyl 2-(1,3-dimethyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-5-nitro-hexahydropyrimidin-4-yl)acetic acid methyl ester Formula: C9H13N3O6 MolecularWeight: 259.21602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C(=O)N(C1=O)C)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CN1C(C(C(=O)N(C1=O)C)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C9H13N3O6/c1-10-5(4-6(13)18-3)7(12(16)17)8(14)11(2)9(10)15/h5,7H,4H2,1-3H3