N-[5-(2-nitro-1-oxidanyl-ethyl)pyrimidin-2-yl]ethanamide

Systemtic Name: N-[5-(2-nitro-1-oxidanyl-ethyl)pyrimidin-2-yl]ethanamide Openeye Name: N-[5-(1-hydroxy-2-nitro-ethyl)pyrimidin-2-yl]acetamide CAS Name: N-[5-(1-hydroxy-2-nitroethyl)-2-pyrimidinyl]acetamide IUPAC Name: N-[5-(1-hydroxy-2-nitroethyl)pyrimidin-2-yl]acetamide Traditional Name: N-[5-(1-hydroxy-2-nitro-ethyl)pyrimidin-2-yl]acetamide Formula: C8H10N4O4 MolecularWeight: 226.1894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=N1)C(C[N+](=O)[O-])O

Isomeric SMILES

CC(=O)NC1=NC=C(C=N1)C(C[N+](=O)[O-])O

InChI

InChI=1S/C8H10N4O4/c1-5(13)11-8-9-2-6(3-10-8)7(14)4-12(15)16/h2-3,7,14H,4H2,1H3,(H,9,10,11,13)