sodium 2-chloranyl-5-nitro-1H-pyrimidin-6-one hydrate

Systemtic Name: sodium 2-chloranyl-5-nitro-1H-pyrimidin-6-one hydrate Openeye Name: sodium 2-chloro-5-nitro-1H-pyrimidin-6-one hydrate CAS Name: sodium 2-chloro-5-nitro-1H-pyrimidin-6-one hydrate IUPAC Name: sodium 2-chloro-5-nitro-1H-pyrimidin-6-one hydrate Traditional Name: sodium 2-chloro-5-nitro-1H-pyrimidin-6-one hydrate Formula: C4H4ClN3NaO4+ MolecularWeight: 216.53503

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=N1)Cl)[N+](=O)[O-].O.[Na+]

Isomeric SMILES

C1=C(C(=O)NC(=N1)Cl)[N+](=O)[O-].O.[Na+]

InChI

InChI=1S/C4H2ClN3O3.Na.H2O/c5-4-6-1-2(8(10)11)3(9)7-4;;/h1H,(H,6,7,9);;1H2/q;+1;