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

Systemtic Name: potassium 5-nitro-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylate hydrate Openeye Name: potassium 5-nitro-2,6-dioxo-hexahydropyrimidine-4-carboxylate hydrate CAS Name: potassium 5-nitro-2,6-dioxo-1,3-diazinane-4-carboxylate hydrate IUPAC Name: potassium 5-nitro-2,6-dioxo-1,3-diazinane-4-carboxylate hydrate Traditional Name: potassium 2,6-diketo-5-nitro-hexahydropyrimidine-4-carboxylate hydrate Formula: C5H6KN3O7 MolecularWeight: 259.21534

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(NC(=O)NC1=O)C(=O)[O-])[N+](=O)[O-].O.[K+]

Isomeric SMILES

C1(C(NC(=O)NC1=O)C(=O)[O-])[N+](=O)[O-].O.[K+]

InChI

InChI=1S/C5H5N3O6.K.H2O/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3;;/h1-2H,(H,10,11)(H2,6,7,9,12);;1H2/q;+1;/p-1