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

Systemtic Name: 2-chloranyl-5-nitro-1H-pyrimidin-6-one hydrate Openeye Name: 2-chloro-5-nitro-1H-pyrimidin-6-one hydrate CAS Name: 2-chloro-5-nitro-1H-pyrimidin-6-one hydrate IUPAC Name: 2-chloro-5-nitro-1H-pyrimidin-6-one hydrate Traditional Name: 2-chloro-5-nitro-1H-pyrimidin-6-one hydrate Formula: C4H4ClN3O4 MolecularWeight: 193.54526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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