methyl 5-nitro-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylate hydrate

Systemtic Name: methyl 5-nitro-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylate hydrate Openeye Name: methyl 5-nitro-2,6-dioxo-hexahydropyrimidine-4-carboxylate hydrate CAS Name: 5-nitro-2,6-dioxo-1,3-diazinane-4-carboxylic acid methyl ester hydrate IUPAC Name: methyl 5-nitro-2,6-dioxo-1,3-diazinane-4-carboxylate hydrate Traditional Name: 2,6-diketo-5-nitro-hexahydropyrimidine-4-carboxylic acid methyl ester hydrate Formula: C6H9N3O7 MolecularWeight: 235.15156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)NC(=O)N1)[N+](=O)[O-].O

Isomeric SMILES

COC(=O)C1C(C(=O)NC(=O)N1)[N+](=O)[O-].O

InChI

InChI=1S/C6H7N3O6.H2O/c1-15-5(11)2-3(9(13)14)4(10)8-6(12)7-2;/h2-3H,1H3,(H2,7,8,10,12);1H2