5-nitro-6-(2-oxidanylidenebutyl)-1H-pyrimidin-2-one

Systemtic Name: 5-nitro-6-(2-oxidanylidenebutyl)-1H-pyrimidin-2-one Openeye Name: 5-nitro-6-(2-oxobutyl)-1H-pyrimidin-2-one CAS Name: 5-nitro-6-(2-oxobutyl)-1H-pyrimidin-2-one IUPAC Name: 5-nitro-6-(2-oxobutyl)-1H-pyrimidin-2-one Traditional Name: 6-(2-ketobutyl)-5-nitro-1H-pyrimidin-2-one Formula: C8H9N3O4 MolecularWeight: 211.17476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=C(C=NC(=O)N1)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)CC1=C(C=NC(=O)N1)[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O4/c1-2-5(12)3-6-7(11(14)15)4-9-8(13)10-6/h4H,2-3H2,1H3,(H,9,10,13)